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6m4w

Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin

Method: X-RAY DIFFRACTION Dmax: 131.3 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

chimera of Maltose/maltodextrin-binding periplasmic protein and Peptidyl-prolyl cis-trans isomerase FKBP1A

Homo sapiens

UniProt P0AEX9

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 27–392 Mutation：D-288A, K-287A, E-198A, N-197A, K-131A Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P62942） Serine/threonine-protein kinase mTOR × 1 （P42345） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278
2 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 27–392 Mutation：D-288A, K-287A, E-198A, N-197A, K-131A Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P62942） Serine/threonine-protein kinase mTOR × 1 （P42345） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278
3 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain C； UniProt 27–392 Mutation：D-288A, K-287A, E-198A, N-197A, K-131A Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P62942） Serine/threonine-protein kinase mTOR × 1 （P42345） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 6M4W Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain D 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain E 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
21DH Crystal structure of MBP-fused Monobody P' in complex with HPPU Deposited 2025-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain F 31–392（362 aa）
Mutation：A324V A1MC1 1-(4-hydroxyphenyl)-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate
Resolution 2.57 Å R-free 0.247
2D21 NMR Structure of stereo-array isotope labelled (SAIL) maltodextrin-binding protein (MBP) Deposited 2005-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；310 K；Ionic strength (raw mmCIF value) 20mM sodium phosphate；Pressure AMBIENT
NMR sample composition 0.33mM SAIL-MBP, 3.3mM beta-cyclodextrin, 20mM sodium phosphate, 3mM NaN3, CompleteMini protease inhibitor mix | 90% H2O/10% D2O
Resolution not provided
2H25 Solution Structure of Maltose Binding Protein complexed with beta-cyclodextrin Deposited 2006-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；303 K；Ionic strength (raw mmCIF value) 20mM sodium phosphates；Pressure ambient
NMR sample composition 1.2mM MBP, PH 7; 10% D2O | 10% D2O
Resolution not provided
2KLF PERE NMR structure of maltodextrin-binding protein Deposited 2009-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：I2T No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；310 K；Ionic strength (raw mmCIF value) 0.02；Pressure ambient
NMR sample composition 20mM potassium phosphate-1, 2mM beta-cyclodextrin-2, 3mM sodium azide-3, 100mM EDTA-4, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2MV0 Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690 Deposited 2014-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；310 K；Pressure ambient
NMR sample composition 1.05 mM ER690.005, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2N44 EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target ER690 Deposited 2015-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa） Fragment：UNP residues 27-396
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2N45 EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data with a second set of RDC data simulated for an alternative alignment tensor. Northeast Structural Genomics Consortium target ER690 Deposited 2015-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa） Fragment：UNP RESIDUES 27-396
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2OBG Crystal Structure of Monobody MBP-74/Maltose Binding Protein Fusion Complex Deposited 2006-12-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 31–396（366 aa） Fragment：MBP (residues 5-370), MBP-74 (residues 1001-1093)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；292 K；20% PEG-1000, 0.1 M Na/K phosphate, 0.2 M NaCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.35 Å R-free 0.250
2OK2 MutS C-terminal domain fused to Maltose Binding Protein Deposited 2007-01-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 28–392（365 aa） Fragment：MBP/MutS C-terminal fusion
Chain B 28–392（365 aa） Fragment：MBP/MutS C-terminal fusion
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；15% PEG 4K, 100 mM sodium citrate, 100 mM lithium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.277
2R6G The Crystal Structure of the E. coli Maltose Transporter Deposited 2007-09-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；27% PEG 400, 500mM NaCl, 100mM Sodium Hepes pH 7.5, 10mM betaine hydrochloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.80 Å R-free 0.271
2ZXT Crystal structure of Tim40/MIA40, a disulfide relay system in mitochondria, solved as MBP fusion protein Deposited 2009-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：MBPTim40C4
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；100mM KOAc, 200 mM NH4OAc, 30 % PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.278
3A3C Crystal structure of TIM40/MIA40 fusing MBP, C296S and C298S mutant Deposited 2009-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–392（364 aa）
Mutation：C296S, C298S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；100mM K-acetate, 200 mM NH4-acetate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.316
3C4M Structure of human parathyroid hormone in complex with the extracellular domain of its G-protein-coupled receptor (PTH1R) Deposited 2008-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PPG P400, 0.1 M NaCacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.95 Å R-free 0.227
3C4M Structure of human parathyroid hormone in complex with the extracellular domain of its G-protein-coupled receptor (PTH1R) Deposited 2008-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–392（367 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PPG P400, 0.1 M NaCacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.95 Å R-free 0.227
3CSB Crystal Structure of Monobody YSX1/Maltose Binding Protein Fusion Complex Deposited 2008-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–396（366 aa）
Not recorded MN MANGANESE (II) ION × 4 EDO 1,2-ETHANEDIOL × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；41% polyethelyeneglycol-400, 2% 2-methyl-2,4-pentanediol, 50 mM MnCl2, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.236
3CSG Crystal Structure of Monobody YS1(MBP-74)/Maltose Binding Protein Fusion Complex Deposited 2008-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–396（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；292 K；20% polyethyleneglycol-1000, 0.1 M Na/K phosphate, 0.2 M NaCl, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.235
3D4C ZP-N domain of mammalian sperm receptor ZP3 (crystal form I) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CD CADMIUM ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M tris-HCL, PH7.2, 0.001M maltose. Reservoir: 1.0M sodium acetate, 0,1M sodium HEPES, PH7.5, 0.05M cadmium sulfate. Sample to reservoir ratio in drop: 1:1, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.90 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain F 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain G 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3D4G ZP-N domain of mammalian sperm receptor ZP3 (crystal form II) Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain H 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M maltose. Reservoir: 10% PEG6000, 0.2M calcium chloride, 0.1M Tris-HCL, PH7.0. Sample to reservoir ratio in drop: 1:1, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.227
3DM0 Maltose Binding Protein fusion with RACK1 from A. thaliana Deposited 2008-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa） Fragment：Fusion protein of MBP (UNP residues 27 to 387 ) and RACK1 (UNP residues 4 to 327)
Mutation：D82A, K83A, K239A, E359A EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；278 K；100mM HEPES pH 7.5 20% w/v PEG 10,000, VAPOR DIFFUSION, SITTING DROP, temperature 278K
Resolution 2.40 Å R-free 0.250
3EF7 ZP-N domain of mammalian sperm receptor ZP3 (crystal form III) Deposited 2008-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N ZN ZINC ION × 5 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M Maltose. Reservoir: 12% PEG6000, 0.15M calcium chloride, 0.0025M zinc chloride, 0.1M Tris-HCL, PH8.2. Sample to reservoir ratio in drop: 1:1, PH8.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K, pH7.8
Resolution 3.10 Å R-free 0.256
3EF7 ZP-N domain of mammalian sperm receptor ZP3 (crystal form III) Deposited 2008-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N ZN ZINC ION × 8 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M Maltose. Reservoir: 12% PEG6000, 0.15M calcium chloride, 0.0025M zinc chloride, 0.1M Tris-HCL, PH8.2. Sample to reservoir ratio in drop: 1:1, PH8.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K, pH7.8
Resolution 3.10 Å R-free 0.256
3EF7 ZP-N domain of mammalian sperm receptor ZP3 (crystal form III) Deposited 2008-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Chain B 27–393（367 aa） Fragment：ZP3 ZP-N domain, UNP residues 27-393, UNP residues 42-143
Mutation：I3T, E360A, K363A, D364A, R368N Mutation：I3T, E360A, K363A, D364A, R368N ZN ZINC ION × 26 CA CALCIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Sample: 15mg/ml protein in 0.05M sodium chloride, 0.01M Tris-HCL, PH7.2, 0.001M Maltose. Reservoir: 12% PEG6000, 0.15M calcium chloride, 0.0025M zinc chloride, 0.1M Tris-HCL, PH8.2. Sample to reservoir ratio in drop: 1:1, PH8.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K, pH7.8
Resolution 3.10 Å R-free 0.256
3EHS Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) Deposited 2008-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.7；293 K；NaCl, sucrose, sodium acetate, pH 4.7, vapor diffusion, temperature 293K
Resolution 2.76 Å R-free 0.240
3EHT Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF Deposited 2008-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Mutation：F(-257)E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.25；293 K；PEG 3350, Lithium sulfate, Bis-Tris, pH 6.25, VAPOR DIFFUSION, temperature 293K
Resolution 3.40 Å R-free 0.252
3EHU Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF Deposited 2008-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Mutation：A(-25)E CA CALCIUM ION × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.75；293 K；PEG MME 550, calcium chloride, tert-butanol, Bis-Tris, pH 6.75, VAPOR DIFFUSION, temperature 293K
Resolution 1.96 Å R-free 0.256
3EHU Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF Deposited 2008-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–392（367 aa）
Mutation：A(-25)E CA CALCIUM ION × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.75；293 K；PEG MME 550, calcium chloride, tert-butanol, Bis-Tris, pH 6.75, VAPOR DIFFUSION, temperature 293K
Resolution 1.96 Å R-free 0.256
3F5F Crystal structure of heparan sulfate 2-O-sulfotransferase from gallus gallus as a maltose binding protein fusion. Deposited 2008-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–387（361 aa） Fragment：P0AEX9 residues 27-392, Q76KB1 residues 69-356
Mutation：E359A A3P ADENOSINE-3'-5'-DIPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；Ammonium Citrate, Bis-tris-propane, Phenol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.65 Å R-free 0.243
3G7V Islet Amyloid Polypeptide (IAPP or Amylin) fused to Maltose Binding Protein Deposited 2009-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded SO4 SULFATE ION × 7 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.86 Å R-free 0.205
3G7V Islet Amyloid Polypeptide (IAPP or Amylin) fused to Maltose Binding Protein Deposited 2009-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded SO4 SULFATE ION × 8 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.86 Å R-free 0.205
3G7W Islet Amyloid Polypeptide (IAPP or Amylin) Residues 1 to 22 fused to Maltose Binding Protein Deposited 2009-02-11 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 20 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.75 Å R-free 0.194
3G7W Islet Amyloid Polypeptide (IAPP or Amylin) Residues 1 to 22 fused to Maltose Binding Protein Deposited 2009-02-11 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 40 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；2.0 M Ammonium Sulfate, 0.1M Sodium Acetate pH 4.6, vapor diffusion, hanging drop, temperature 298K
Resolution 1.75 Å R-free 0.194
3H3G Crystal structure of the extracellular domain of the human parathyroid hormone receptor (PTH1R) in complex with parathyroid hormone-related protein (PTHrP) Deposited 2009-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；7.5% PEG 2000, 13% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.94 Å R-free 0.233
3H4Z Crystal Structure of an MBP-Der p 7 fusion protein Deposited 2009-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；85mM Lithium sulfate, 42mM Tris pH 8.5, 12.75% PEG4K, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.35 Å R-free 0.293
3H4Z Crystal Structure of an MBP-Der p 7 fusion protein Deposited 2009-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；85mM Lithium sulfate, 42mM Tris pH 8.5, 12.75% PEG4K, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.35 Å R-free 0.293
3H4Z Crystal Structure of an MBP-Der p 7 fusion protein Deposited 2009-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；85mM Lithium sulfate, 42mM Tris pH 8.5, 12.75% PEG4K, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.35 Å R-free 0.293
3HPI Crystal structure of maltose-binding protein mutant with bound sucrose Deposited 2009-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：D14L, K15F, W62Y, E111Y ZN ZINC ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.2；289 K；PEG MME 5000, Sodium acetate, Sucrose, Magnesium chloride, Zinc chloride, pH 6.2, VAPOR DIFFUSION, temperature 289K
Resolution 2.00 Å R-free 0.284
3HPI Crystal structure of maltose-binding protein mutant with bound sucrose Deposited 2009-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–396（370 aa）
Mutation：D14L, K15F, W62Y, E111Y ZN ZINC ION × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.2；289 K；PEG MME 5000, Sodium acetate, Sucrose, Magnesium chloride, Zinc chloride, pH 6.2, VAPOR DIFFUSION, temperature 289K
Resolution 2.00 Å R-free 0.284
3HST N-Terminal RNASE H domain of rv2228c from mycobacterium tuberculosis as a fusion protein with maltose binding protein Deposited 2009-06-10 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG2000, 0.2M Ammounium tartrate, pH pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.25 Å R-free 0.239
3HST N-Terminal RNASE H domain of rv2228c from mycobacterium tuberculosis as a fusion protein with maltose binding protein Deposited 2009-06-10 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 TAR D(-)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG2000, 0.2M Ammounium tartrate, pH pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.25 Å R-free 0.239
3IOR Huntingtin amino-terminal region with 17 Gln residues - crystal C95 Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4 , VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.60 Å R-free 0.267
3IOT Huntingtin amino-terminal region with 17 Gln residues - crystal C92-b Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 9 CA CALCIUM ION × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.50 Å R-free 0.295
3IOU Huntingtin amino-terminal region with 17 Gln residues - crystal C94 Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 8 CA CALCIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.70 Å R-free 0.299
3IOV Huntingtin amino-terminal region with 17 Gln residues - crystal C99 Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.70 Å R-free 0.280
3IOW Huntingtin amino-terminal region with 17 Gln residues - crystal C99-Hg Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain B 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Chain C 27–384（358 aa） Fragment：Fusion protein, see remark 999,Fusion protein, see remark 999
Not recorded ZN ZINC ION × 7 CA CALCIUM ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；12% PEG 4000, 200 mM Zn acetate, 200 mM Sodium acetate, 100 mM Sodium Cacodylate pH 6.5-7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.50 Å R-free 0.281
3J9P Structure of the TRPA1 ion channel determined by electron cryo-microscopy Deposited 2015-02-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa） Fragment：SEE REMARK 999
Chain B 27–392（366 aa） Fragment：SEE REMARK 999
Chain C 27–392（366 aa） Fragment：SEE REMARK 999
Chain D 27–392（366 aa） Fragment：SEE REMARK 999
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer 20 mM HEPES, 150 mM NaCl, 1 mM DTT, 1 mM IP6；pH 8；20 mM HEPES, 150 mM NaCl, 1 mM DTT, 1 mM IP6
cryo-EM vitrification conditions Blot for 7 seconds before plunging.；120 K；Cryogen ETHANE；Blot for 7 seconds before plunging into liquid ethane (FEI VITROBOT MARK I).
Resolution 4.24 Å
3KJT Stimulation of the maltose transporter by a mutant sucrose binding protein gives insights into ABC transporter coupling Deposited 2009-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa） Fragment：UNP residues 27-396
Mutation：D14L, K15F, W62Y, E111Y No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；289 K；PEG MME 5000, 0.1M Sodium acetate, 60mM MgCl2, 10mM ZnCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 1.50 Å R-free 0.242
3L2J Dimeric structure of the ligand-free extracellular domain of the human parathyroid hormone receptor (PTH1R) Deposited 2009-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulfate, HEPES, sodium acetate, PEG400, cadaverine dihydrochloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.24 Å R-free 0.258
3LBS Crystal structure of the cytoplasmic tail of (pro)renin receptor as a MBP fusion (Maltose-bound form) Deposited 2010-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Chain B 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；28% PEG4000, 0.2M Magnesium Chloride, 0.1 M Cacodylate, pH 6.5, EVAPORATION, temperature 293K
Resolution 2.15 Å R-free 0.278
3LC8 Crystal structure of the cytoplasmic tail of (pro)renin receptor as a MBP fusion (Maltose-free form) Deposited 2010-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Chain B 29–390（362 aa） Fragment：Maltose-binding periplasmic protein, residues 29-390, Renin receptor, residues 332-350
Not recorded PG4 TETRAETHYLENE GLYCOL × 2 GOL GLYCEROL × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；293 K；20% PEG 4000, 0.2M Magnesium Chloride, 0.1M Tris, pH 8.5, EVAPORATION, temperature 293K
Resolution 2.00 Å R-free 0.257
3MP1 Complex structure of Sgf29 and trimethylated H3K4 Deposited 2010-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；281 K；25% PEG3350, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K
Resolution 2.60 Å R-free 0.260
3MP6 Complex Structure of Sgf29 and dimethylated H3K4 Deposited 2010-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；281 K；25% PEG3350, 0.1M sodium acetate, pH 4.5, vapor diffusion, hanging drop, temperature 281K
Resolution 1.48 Å R-free 0.205
3MP8 Crystal structure of Sgf29 tudor domain Deposited 2010-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa）
Not recorded GOL GLYCEROL × 9 SO4 SULFATE ION × 6 NA SODIUM ION × 5 ACY ACETIC ACID × 3 4BZ 4-(HYDROXYMETHYL)BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；281 K；2.0M ammonium sulfate, 0.1M sodium acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K
Resolution 1.92 Å R-free 0.216
3MQ9 Crystal Structure of Ectodomain Mutant of BST-2/Tetherin/CD317 Fused to MBP Deposited 2010-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain B 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain C 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain D 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5；298 K；Crystals were grown at 25C by using microbatch under oil by mixing protein with crystallization buffer containing 100 mM sodium acetate (pH 5.0), 200 mM NaCl, 20% PEG 6000. Micro batch under oil, pH 5.0, EVAPORATION, temperature 298.0K
Resolution 2.80 Å R-free 0.279
3MQ9 Crystal Structure of Ectodomain Mutant of BST-2/Tetherin/CD317 Fused to MBP Deposited 2010-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain F 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain G 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Chain H 27–395（369 aa） Fragment：MBP residues 27-395 fused to BST-2 residues 66-139
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5；298 K；Crystals were grown at 25C by using microbatch under oil by mixing protein with crystallization buffer containing 100 mM sodium acetate (pH 5.0), 200 mM NaCl, 20% PEG 6000. Micro batch under oil, pH 5.0, EVAPORATION, temperature 298.0K
Resolution 2.80 Å R-free 0.279
3N94 Crystal structure of human pituitary adenylate cyclase 1 Receptor-short N-terminal extracellular domain Deposited 2010-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa） Fragment：UNP 26-119
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；25.5% PEG 4000, 15% Glycerol, 170mM Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
Resolution 1.80 Å R-free 0.216
3O3U Crystal Structure of Human Receptor for Advanced Glycation Endproducts (RAGE) Deposited 2010-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain N 28–384（357 aa） Fragment：MBP: UNP residues 28-384, RAGE: UNP residues 23-231
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；200 mM Li sulfate, 100 mM Tris-HCl, pH 7.5 and 10% (w/v) polyethylene glycol 4,000 , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.184
3PGF Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB) Deposited 2010-11-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–393（367 aa）
Mutation：r367n delta (368-370) IMD IMIDAZOLE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；19% PEG 3400, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.227
3PUV Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-VO4 Deposited 2010-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：unp residues 27-396
Not recorded PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 VO4 VANADATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；27% PEG 400, 0.1M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5
Resolution 2.40 Å R-free 0.253
3PUW Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-AlF4 Deposited 2010-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：unp residues 27-396
Not recorded PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 UMQ UNDECYL-MALTOSIDE × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ALF TETRAFLUOROALUMINATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；27 % PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5
Resolution 2.30 Å R-free 0.255
3PUX Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-BeF3 Deposited 2010-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：unp residues 27-396
Not recorded UMQ UNDECYL-MALTOSIDE × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 10 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 BEF BERYLLIUM TRIFLUORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；293 K；27% PEG 400, 0.1 M HEPES, 10 mM magnesium chloride, 50 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5
Resolution 2.30 Å R-free 0.265
3PY7 Crystal structure of full-length Bovine Papillomavirus oncoprotein E6 in complex with LD1 motif of paxillin at 2.3A resolution Deposited 2010-12-12 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：D108A,K109A,K265A,E385A,K388A,D389A (maltose-binding periplasmic protein) ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；1.6 M ammonium sulfate, 2% PEG2000 MME 0.1 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.29 Å R-free 0.225
3Q25 Crystal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 10 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；2.2 M AMMONIUM SULFATE, 20% (w/v) GLYCEROL, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.196
3Q25 Crystal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 20 GOL GLYCEROL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；2.2 M AMMONIUM SULFATE, 20% (w/v) GLYCEROL, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.196
3Q26 Cyrstal structure of human alpha-synuclein (10-42) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded GOL GLYCEROL × 6 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.2M tri-lithium citrate, 2.2 M ammonium sulfate, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.54 Å R-free 0.183
3Q27 Cyrstal structure of human alpha-synuclein (32-57) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；0.1M bicine pH 9.0, 2.4 M ammonium sulfate, vapor diffusion, hanging drop, temperature 290K
Resolution 1.30 Å R-free 0.156
3Q28 Cyrstal structure of human alpha-synuclein (58-79) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；0.1M BICINE pH 9.0, 3.2 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 290K
Resolution 1.60 Å R-free 0.173
3Q29 Cyrstal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded GOL GLYCEROL × 4 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS pH 8.0, 2.4 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 290K
Resolution 2.30 Å R-free 0.232
3Q29 Cyrstal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) Deposited 2010-12-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded GOL GLYCEROL × 4 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS pH 8.0, 2.4 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 290K
Resolution 2.30 Å R-free 0.232
3RLF Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to MgAMPPNP Deposited 2011-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa）
Not recorded UMQ UNDECYL-MALTOSIDE × 1 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 4 MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；28% PEG 4000, 0.1M sodium hepes pH 7.5, 0.2M sodium chloride, 0.05M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.254
3RUM New strategy to analyze structures of glycopeptide antibiotic-target complexes Deposited 2011-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392
Non-standard monomer：Yes (specific site not provided by mmCIF) IPA ISOPROPYL ALCOHOL × 3 SO4 SULFATE ION × 4 RST 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose × 2 MAN alpha-D-mannopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；5% isopropanol, 2M ammonium sulfate, vapor diffusion, sitting drop, temperature 291K
Resolution 1.85 Å R-free 0.219
3SER Zn-mediated Polymer of Maltose-binding Protein K26H/K30H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：K26H, K30H CL CHLORIDE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M CALCIUM ACETATE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 2.35 Å R-free 0.222
3SER Zn-mediated Polymer of Maltose-binding Protein K26H/K30H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：K26H, K30H CL CHLORIDE ION × 2 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M CALCIUM ACETATE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 2.35 Å R-free 0.222
3SES Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H CU COPPER (II) ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.205
3SES Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H CU COPPER (II) ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.205
3SES Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：A216H, K220H No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, 20% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.205
3SET Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 25% (W/V) PEG 3350, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.282
3SET Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 25% (W/V) PEG 3350, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.282
3SET Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：A216H, K220H NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 25% (W/V) PEG 3350, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.90 Å R-free 0.282
3SEU Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form III) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H ZN ZINC ION × 8 ACT ACETATE ION × 6 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M IMIDAZOLE, 0.2M ZINC ACETATE, 20% (W/V) PEG 3000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.85 Å R-free 0.191
3SEV Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Chain E 27–384（358 aa）
Mutation：E310H, K314H Mutation：E310H, K314H Mutation：E310H, K314H ZN ZINC ION × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M HEPES, 2.4M AMMONIUM SULFATE, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 3.05 Å R-free 0.263
3SEW Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H ZN ZINC ION × 1 CL CHLORIDE ION × 4 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M TRIS, 0.2M SODIUM CHLORIDE, 30% (W/V) PEG 3000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.55 Å R-free 0.188
3SEX Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H IOD IODIDE ION × 26 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.2M SODIUM IODIDE, 2.2M AMMONIUM SULFATE, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.95 Å R-free 0.238
3SEY Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Mutation：A216H, K220H ZN ZINC ION × 20 ACT ACETATE ION × 6 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M ZINC ACETATE, 10% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.85 Å R-free 0.247
3SEY Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) Deposited 2011-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–384（358 aa）
Chain E 27–384（358 aa）
Mutation：A216H, K220H Mutation：A216H, K220H ZN ZINC ION × 13 ACT ACETATE ION × 5 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1M MES, 0.2M ZINC ACETATE, 10% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K
Resolution 1.85 Å R-free 0.247
3VFJ The structure of monodechloro-teicoplanin in complex with its ligand, using MBP as a ligand carrier Deposited 2012-01-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 8 ACT ACETATE ION × 2 CAC CACODYLATE ION × 2 GCS 2-amino-2-deoxy-beta-D-glucopyranose × 1 T55 8-METHYLNONANOIC ACID × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MAN alpha-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2 M zinc acetate, 0.1 M sodium cacodylate 6.5, 16% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.05 Å R-free 0.231
3W15 Structure of peroxisomal targeting signal 2 (PTS2) of Saccharomyces cerevisiae 3-ketoacyl-CoA thiolase in complex with Pex7p and Pex21p Deposited 2012-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–396（370 aa） Fragment：UNP residue 1-15, UNP residues 27-396
Not recorded NO3 NITRATE ION × 9 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；25% PEG2000, 0.3M Magnesium nitrate, 0.1M Tris-HCl, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.224
3WAI Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (AfAglB-L, O29867_ARCFU) from Archaeoglobus fulgidus as a MBP fusion Deposited 2013-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP residues of MBP 27-392, C-terminal globular domain residues 500-868
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.4；293 K；0.1M CAPSO, 33% PEG 3350, pH 9.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.202
3WOA Crystal structure of lambda repressor (1-45) fused with maltose-binding protein Deposited 2013-12-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：N416R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；1.6M DL-Malic acid, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.194
4B3N Crystal structure of rhesus TRIM5alpha PRY/SPRY domain Deposited 2012-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–395（369 aa） Fragment：MBP RESIDUES 27-395, TRIM5ALPHA PRY/SPRY DOMAIN RESIDUES 275-493
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.2；6% (W/V) GLUCOSE, 6% (W/V) TREHALOSE, 100 MM MES PH 6.2 AND 25% PEG 3350
Resolution 3.30 Å R-free 0.248
4B3N Crystal structure of rhesus TRIM5alpha PRY/SPRY domain Deposited 2012-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–395（369 aa） Fragment：MBP RESIDUES 27-395, TRIM5ALPHA PRY/SPRY DOMAIN RESIDUES 275-493
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.2；6% (W/V) GLUCOSE, 6% (W/V) TREHALOSE, 100 MM MES PH 6.2 AND 25% PEG 3350
Resolution 3.30 Å R-free 0.248
4BL8 Crystal structure of full-length human Suppressor of fused (SUFU) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；PROTEIN (12 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4OC BY HANGING DROP VAPOUR DIFFUSION WITH 0.2 M K/NA TARTRATE, 0.1 M BIS-TRIS PROPANE PH 8.5 AND 16% (V/V) PEG 3350 (AT A PROTEIN:MOTHER LIQUOR RATIO OF 2:1)
Resolution 3.04 Å R-free 0.246
4BL8 Crystal structure of full-length human Suppressor of fused (SUFU) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；PROTEIN (12 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4OC BY HANGING DROP VAPOUR DIFFUSION WITH 0.2 M K/NA TARTRATE, 0.1 M BIS-TRIS PROPANE PH 8.5 AND 16% (V/V) PEG 3350 (AT A PROTEIN:MOTHER LIQUOR RATIO OF 2:1)
Resolution 3.04 Å R-free 0.246
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BL9 Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PROTEIN (6.5 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS CRYSTALLISED AT 4C BY HANGING DROP VAPOUR DIFFUSION WITH 0.08 M NA-CACODYLATE (PH 6.6), 20% (V/V) GLYCEROL, 160 MM CA(OAC)2 AND 9% (V/V) PEG 8000
Resolution 2.80 Å R-free 0.234
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLA Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain not uniquely mapped Reference range not declared Fragment：MBPP RESIDUES 29-387,SUFUH RESIDUES 32-278,361-483
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (11.6 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT) WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 0.1 M NA-HEPES PH 7.5, 17% (V/V) PEG 3350, 0.2 M NACL.
Resolution 3.50 Å R-free 0.293
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLB Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–396（370 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4BLD Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 27–393（367 aa） Fragment：MBPP RESIDUES 29-392,SUFUH RESIDUES 32-278,361-483
Mutation：YES ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI3 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350 AND 0.2 M NA FORMATE)
Resolution 2.80 Å R-free 0.234
4DXB 2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group Deposited 2012-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–342（316 aa） Fragment：SEE REMARK 999
Chain A 345–396（52 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.29 Å R-free 0.292
4DXB 2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group Deposited 2012-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–342（316 aa） Fragment：SEE REMARK 999
Chain B 345–396（52 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.29 Å R-free 0.292
4DXC Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group Deposited 2012-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–342（316 aa） Fragment：SEE REMARK 999
Chain A 345–396（52 aa） Fragment：SEE REMARK 999
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.30 Å R-free 0.291
4EDQ MBP-fusion protein of myosin-binding protein c residues 149-269 Deposited 2012-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：UNP P0AEX9 residues 27-384 and UNP O70468 residues 149-269
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；20% PEG 5K MME 0.1 M Bicine pH 9.0 2.9mM 1-s-Nonyl- -D-thioglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 1.64 Å R-free 0.214
4EDQ MBP-fusion protein of myosin-binding protein c residues 149-269 Deposited 2012-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：UNP P0AEX9 residues 27-384 and UNP O70468 residues 149-269
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；290 K；20% PEG 5K MME 0.1 M Bicine pH 9.0 2.9mM 1-s-Nonyl- -D-thioglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 1.64 Å R-free 0.214
4EGC Crystal Structure of MBP-fused Human Six1 Bound to Human Eya2 Eya Domain Deposited 2012-03-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：SEE REMARK 999
Mutation：E172A,N173A,E359A,K362A,D363A MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.1；291 K；13.75% PEG8000, 0.01 M magnesium chloride, 0.05 M MES, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.99 Å R-free 0.224
4EXK A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 from Salmonella enterica Deposited 2012-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Not recorded PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.2 M Ammonium Acetate, 25 % peg 3320, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.28 Å R-free 0.178
4FE8 Crystal Structure of Htt36Q3H-EX1-X1-C1(Alpha) Deposited 2012-05-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Huntingtin protein exon1 domain (UNP residues 1-164),Huntingtin protein exon1 domain (UNP residues 1-164)
Chain B 27–384（358 aa） Fragment：Huntingtin protein exon1 domain (UNP residues 1-164),Huntingtin protein exon1 domain (UNP residues 1-164)
Chain C 27–384（358 aa） Fragment：Huntingtin protein exon1 domain (UNP residues 1-164),Huntingtin protein exon1 domain (UNP residues 1-164)
Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH ZN ZINC ION × 31 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；PEG12K, Na Acetate, Zn Acetate, Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.00 Å R-free 0.275
4FEC Crystal Structure of Htt36Q3H Deposited 2012-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Huntingtin protein exon1 domain
Chain B 27–384（358 aa） Fragment：Huntingtin protein exon1 domain
Chain C 27–384（358 aa） Fragment：Huntingtin protein exon1 domain
Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH Mutation：HQHQH,HQHQH ZN ZINC ION × 31 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；PEG12K, Na Acetate, Zn Acetate, Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 3.00 Å R-free 0.275
4FED Crystal Structure of Htt36Q3H Deposited 2012-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–384（358 aa） Fragment：Huntingtin protein exon1 domain,Huntingtin protein exon1 domain
Chain B 27–384（358 aa） Fragment：Huntingtin protein exon1 domain,Huntingtin protein exon1 domain
Chain C 27–384（358 aa） Fragment：Huntingtin protein exon1 domain,Huntingtin protein exon1 domain
Mutation：HQHQH Mutation：HQHQH Mutation：HQHQH ZN ZINC ION × 35 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；PEG12K, Na Acetate, Zn Acetate, Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.81 Å R-free 0.269
4GIZ Crystal structure of full-length human papillomavirus oncoprotein E6 in complex with LXXLL peptide of ubiquitin ligase E6AP at 2.55 A resolution Deposited 2012-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：unp residues 27-392/403-414
Mutation：D83A,K84A,K240A,E360A,D364A,K363A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；290 K；10% peg8000, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.55 Å R-free 0.196
4GIZ Crystal structure of full-length human papillomavirus oncoprotein E6 in complex with LXXLL peptide of ubiquitin ligase E6AP at 2.55 A resolution Deposited 2012-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa） Fragment：unp residues 27-392/403-414
Mutation：D83A,K84A,K240A,E360A,D364A,K363A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；290 K；10% peg8000, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.55 Å R-free 0.196
4GLI Crystal Structure of Human SMN YG-Dimer Deposited 2012-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–395（369 aa） Fragment：SEE REMARK 999
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；294.15 K；0.1 M Tris-HCl, pH 8.0, 14% w/v PEG3350, 10 mM calcium chloride, 0.1 M potassium chloride, 0.1 M ammonium sulfate, 18% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K
Resolution 1.90 Å R-free 0.247
4IFP X-ray Crystal Structure of Human NLRP1 CARD Domain Deposited 2012-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：NLRP1-CARD
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1.4 M Malonate, 100 mM HEPES 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.99 Å R-free 0.208
4IFP X-ray Crystal Structure of Human NLRP1 CARD Domain Deposited 2012-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：NLRP1-CARD
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1.4 M Malonate, 100 mM HEPES 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.99 Å R-free 0.208
4IFP X-ray Crystal Structure of Human NLRP1 CARD Domain Deposited 2012-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa） Fragment：NLRP1-CARD
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1.4 M Malonate, 100 mM HEPES 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.99 Å R-free 0.208
4IKM X-ray structure of CARD8 CARD domain Deposited 2012-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：MBP tagged human CARD8 CARD domain
Non-standard monomer：Yes (specific site not provided by mmCIF) IOD IODIDE ION × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；16% PEG8000, 0.1 M NaI, 0.1 M NaAc, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.46 Å R-free 0.253
4IRL X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein Deposited 2013-01-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：Zebrafish GBP-NLRP1 CARD domain
Not recorded MLI MALONATE ION × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；20% PEG1000, 0.2 M Sodium Malonate, 0.1 M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.224
4IRL X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein Deposited 2013-01-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：Zebrafish GBP-NLRP1 CARD domain
Not recorded MLI MALONATE ION × 1 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；20% PEG1000, 0.2 M Sodium Malonate, 0.1 M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.224
4IRL X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein Deposited 2013-01-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa） Fragment：Zebrafish GBP-NLRP1 CARD domain
Not recorded MLI MALONATE ION × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；20% PEG1000, 0.2 M Sodium Malonate, 0.1 M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.224
4JBZ Structure of Mcm10 coiled-coil region Deposited 2013-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa） Fragment：MALTOSE-BINDING PERIPLASMIC PROTEIN: unp residues 27-392, XENOPUS LAEVIS MCM10 COILED-COIL REGION (RESIDUES 95-124)
Chain B 27–392（366 aa） Fragment：MALTOSE-BINDING PERIPLASMIC PROTEIN: unp residues 27-392, XENOPUS LAEVIS MCM10 COILED-COIL REGION (RESIDUES 95-124)
Chain C 27–392（366 aa） Fragment：MALTOSE-BINDING PERIPLASMIC PROTEIN: unp residues 27-392, XENOPUS LAEVIS MCM10 COILED-COIL REGION (RESIDUES 95-124)
Mutation：D82A, K83A, E172A, N173A, K239A Mutation：D82A, K83A, E172A, N173A, K239A Mutation：D82A, K83A, E172A, N173A, K239A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.8；289.15 K；0.1M sodium acetate, 0.1M NaCl, 0.1M CaCl2, 15% PEG 2K,5% (w/v) N-dodecyl-beta-D-maltoside, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 289.15K
Resolution 2.40 Å R-free 0.205
4JKM Crystal Structure of Clostridium perfringens beta-glucuronidase Deposited 2013-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；0.1 M MES pH 6.0-6.5, 28-36% PEG 400, 0.02% sodium azide, vapor diffusion, hanging drop, temperature 289.15K
Resolution 2.26 Å R-free 0.234
4KEG Crystal Structure of MBP Fused Human SPLUNC1 Deposited 2013-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded BOG octyl beta-D-glucopyranoside × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；25% PEG 550 MME, 0.05M HEPES, 0.02M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.50 Å R-free 0.259
4KEG Crystal Structure of MBP Fused Human SPLUNC1 Deposited 2013-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded BOG octyl beta-D-glucopyranoside × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；25% PEG 550 MME, 0.05M HEPES, 0.02M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.50 Å R-free 0.259
4KHZ Crystal structure of the maltose-binding protein/maltose transporter complex in an pre-translocation conformation bound to maltoheptaose Deposited 2013-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa）
Not recorded PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；30% poly-ethylene glycol 400, 100 mM NaCl, 10 mM MgCl2, 100 mM sodium HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.90 Å R-free 0.283
4KI0 Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to maltohexaose Deposited 2013-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric
Chain E 27–396（370 aa） Fragment：UNP residues 27-396
Not recorded MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 UMQ UNDECYL-MALTOSIDE × 11 PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；27% poly-ethylene glycol 400, 200 mM NaCl, 50 mM MgCl2, 100 mM sodium HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.38 Å R-free 0.228
4KV3 Ubiquitin-like domain of the Mycobacterium tuberculosis type VII secretion system protein EccD1 as maltose-binding protein fusion Deposited 2013-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1M HEPES PH 7.5, 1.4M SODIUM CITRATE, vapor diffusion, sitting drop, temperature 295K
Resolution 2.20 Å R-free 0.205
4KYC Structure of the C-terminal domain of the Menangle virus phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：unprot P0AEX9 residues 27-392, unprot Q91MK1 residues 339-388
Mutation：E172A, N173A, E359A, K362A, D363A, C352S EDO 1,2-ETHANEDIOL × 1 BO3 BORIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.1；291.15 K；24 %(w/v) PEG8000, 0.2 M Boric acid/KOH, pH 9.1, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K
Resolution 1.95 Å R-free 0.213
4KYD Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Mutation：D82A,K83A, E359A, K362A, D363A, C368S MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277.15 K；24 %(w/v) PEG 2000 0.2 M MOPS/KOH, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.222
4KYD Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Mutation：D82A,K83A, E359A, K362A, D363A, C368S MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277.15 K；24 %(w/v) PEG 2000 0.2 M MOPS/KOH, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.222
4KYD Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Chain B 27–392（366 aa） Fragment：unp P0AEX9 residues 27-392, unp P21738 residues 351-399
Mutation：D82A,K83A, E359A, K362A, D363A, C368S Mutation：D82A,K83A, E359A, K362A, D363A, C368S MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；277.15 K；24 %(w/v) PEG 2000 0.2 M MOPS/KOH, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.21 Å R-free 0.222
4KYE Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：unprot P0AEX9 residues 27-392, unprot P21738 residues 351-399
Mutation：D82A,K83A,E359A,K362A,D363A, C368S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；277.15 K；24 %(w/v) PEG 8000, 0.2 M Bis-tris/HCl, 0.5 M Ammonium nitrate , pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.60 Å R-free 0.246
4KYE Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. Deposited 2013-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：unprot P0AEX9 residues 27-392, unprot P21738 residues 351-399
Mutation：D82A,K83A,E359A,K362A,D363A, C368S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；277.15 K；24 %(w/v) PEG 8000, 0.2 M Bis-tris/HCl, 0.5 M Ammonium nitrate , pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.60 Å R-free 0.246
4N4X Crystal Structure of the MBP fused human SPLUNC1 (native form) Deposited 2013-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；292 K；50mM HEPES pH 7.5, 20mM MgCl2, 25% PEG 550MME, EVAPORATION, temperature 292K
Resolution 2.50 Å R-free 0.268
4N4X Crystal Structure of the MBP fused human SPLUNC1 (native form) Deposited 2013-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa） Fragment：UNP P0AEX9 residues 27-387, UNP Q9NP55 residues 43-256
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；292 K；50mM HEPES pH 7.5, 20mM MgCl2, 25% PEG 550MME, EVAPORATION, temperature 292K
Resolution 2.50 Å R-free 0.268
4NDZ Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP Deposited 2013-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 27–393（367 aa）
Chain B 27–393（367 aa）
Chain C 27–393（367 aa）
Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N A3P ADENOSINE-3'-5'-DIPHOSPHATE × 3 NPO P-NITROPHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；17.9% PEG 4000, 60mM sodium citrate, 120mM ammonium acetate, 10.5% glycerol, 10mM hexamine cobalt chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.45 Å R-free 0.228
4NDZ Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP Deposited 2013-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 27–393（367 aa）
Chain E 27–393（367 aa）
Chain F 27–393（367 aa）
Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N Mutation：E359A, K362A, D363A, R367N A3P ADENOSINE-3'-5'-DIPHOSPHATE × 3 NPO P-NITROPHENOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；17.9% PEG 4000, 60mM sodium citrate, 120mM ammonium acetate, 10.5% glycerol, 10mM hexamine cobalt chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.45 Å R-free 0.228
4O2X Structure of a malarial protein Deposited 2013-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–371（371 aa） Fragment：MBP residues, malarial ClpS residues 73-192
Mutation：A83D, A84K, A1733, A174N, A240K, A360E, A363K, A364D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；273 K；Ammonium Sulfate 2 M, NaCl 1.8 M no buffer, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 2.70 Å R-free 0.239
4O2X Structure of a malarial protein Deposited 2013-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–371（371 aa） Fragment：MBP residues, malarial ClpS residues 73-192
Mutation：A83D, A84K, A1733, A174N, A240K, A360E, A363K, A364D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；273 K；Ammonium Sulfate 2 M, NaCl 1.8 M no buffer, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 2.70 Å R-free 0.239
4QSZ Crystal structure of mouse JMJd7 fused with maltose-binding protein Deposited 2014-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa） Fragment：SEE REMARK 999
Not recorded GLC alpha-D-glucopyranose × 2 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；Hampton Research PEG/ION HT (89): 20 mM sodium citrate, 80 mM Bis-Tris propane, 16% PEG3350, pH 8.0, EVAPORATION, temperature 277K
Resolution 2.86 Å R-free 0.264
4QSZ Crystal structure of mouse JMJd7 fused with maltose-binding protein Deposited 2014-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–387（361 aa） Fragment：SEE REMARK 999
Not recorded GLC alpha-D-glucopyranose × 2 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；Hampton Research PEG/ION HT (89): 20 mM sodium citrate, 80 mM Bis-Tris propane, 16% PEG3350, pH 8.0, EVAPORATION, temperature 277K
Resolution 2.86 Å R-free 0.264
4QSZ Crystal structure of mouse JMJd7 fused with maltose-binding protein Deposited 2014-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa） Fragment：SEE REMARK 999
Chain B 27–387（361 aa） Fragment：SEE REMARK 999
Not recorded GLC alpha-D-glucopyranose × 4 FLC CITRATE ANION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；277 K；Hampton Research PEG/ION HT (89): 20 mM sodium citrate, 80 mM Bis-Tris propane, 16% PEG3350, pH 8.0, EVAPORATION, temperature 277K
Resolution 2.86 Å R-free 0.264
4QVH Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein Deposited 2014-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded COA COENZYME A × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 7 FLC CITRATE ANION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；1.6M Na citrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.75 Å R-free 0.191
4R0Y Structure of Maltose-binding Protein Fusion with the C-terminal GH1 domain of Guanylate Kinase-associated Protein from Rattus norvegicus Deposited 2014-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.1M Sodium Citrate pH 5.0, 15% PEG 1500, 0.1M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.281
4R0Y Structure of Maltose-binding Protein Fusion with the C-terminal GH1 domain of Guanylate Kinase-associated Protein from Rattus norvegicus Deposited 2014-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.1M Sodium Citrate pH 5.0, 15% PEG 1500, 0.1M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.281
4RWF Crystal structure of the CLR:RAMP2 extracellular domain heterodimer with bound adrenomedullin Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–398（373 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；293 K；19% PEG3350 0.1 M Tris-HCl, pH 8.3 225 mM Sodium Acetate 20% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.76 Å R-free 0.200
4RWG Crystal structure of the CLR:RAMP1 extracellular domain heterodimer with bound high affinity CGRP analog Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–398（373 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；16% PEG3350, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.44 Å R-free 0.243
4RWG Crystal structure of the CLR:RAMP1 extracellular domain heterodimer with bound high affinity CGRP analog Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 26–398（373 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；16% PEG3350, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.44 Å R-free 0.243
4RWG Crystal structure of the CLR:RAMP1 extracellular domain heterodimer with bound high affinity CGRP analog Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 26–398（373 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；16% PEG3350, 8% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.44 Å R-free 0.243
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain F 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain G 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WJV Crystal structure of Rsa4 in complex with the Nsa2 binding peptide Deposited 2014-10-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain H 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M NH4SO4, 20% PEG 3350
Resolution 3.20 Å R-free 0.244
4WMS STRUCTURE OF APO MBP-MCL1 AT 1.9A Deposited 2014-10-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 FMT FORMIC ACID × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1 VCID 9272, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, CRYOPROTECTANT 20%
Resolution 1.90 Å R-free 0.214
4WMT STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A Deposited 2014-10-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A 865 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1 FMT FORMIC ACID × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand
Resolution 2.35 Å R-free 0.215
4WMU STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A Deposited 2014-10-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A 19H 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid × 1 MG MAGNESIUM ION × 2 FMT FORMIC ACID × 13 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 1MM ligand 2
Resolution 1.55 Å R-free 0.190
4WMV STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A Deposited 2014-10-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A, K197A, R201A CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 3R4 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, CRYOPROTECTANT 20% ethylene glycol, SOAKED IN 10MM ligand for 2 DAYS
Resolution 2.40 Å R-free 0.253
4WMW The structure of MBP-MCL1 bound to ligand 5 at 1.9A Deposited 2014-10-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A, K197A, R201A MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 FMT FORMIC ACID × 7 3R6 2-hydroxy-5-(methylsulfanyl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1 VCID 9272, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand 5, CRYOPROTECTANT 20% ETHYLENE GLYCOL, PH 7.0
Resolution 1.90 Å R-free 0.214
4WMX The structure of MBP-MCL1 bound to ligand 6 at 2.0A Deposited 2014-10-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP P0AEX9 residues 27-392,UNP Q07820 residues 174-321
Mutation：K194A, K197A, R201A 3R7 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid × 1 FMT FORMIC ACID × 10 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand 6, CRYOPROTECTANT 20% ETHYLENE GLYCOL, PH 7.0
Resolution 2.00 Å R-free 0.217
4XR8 Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution Deposited 2015-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–393（367 aa）
Mutation：D83A,K84A,K240A,E360A,D364A,K363A PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；7.5 % PEG 20K, 0.05 M MES pH 6.5
Resolution 2.25 Å R-free 0.246
4XR8 Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution Deposited 2015-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 27–393（367 aa）
Mutation：D83A,K84A,K240A,E360A,D364A,K363A PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；7.5 % PEG 20K, 0.05 M MES pH 6.5
Resolution 2.25 Å R-free 0.246
4XZS Crystal Structure of TRIAP1-MBP fusion Deposited 2015-02-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；100 mM sodium acetate, 25% (w/v) PEG 4000, 18% (w/v) MPD, 200 mM ammonium sulphate
Resolution 2.12 Å R-free 0.242
4XZS Crystal Structure of TRIAP1-MBP fusion Deposited 2015-02-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；100 mM sodium acetate, 25% (w/v) PEG 4000, 18% (w/v) MPD, 200 mM ammonium sulphate
Resolution 2.12 Å R-free 0.242
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
4XZV Crystal Structure of SLMO1-TRIAP1 Complex Deposited 2015-02-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium formate, 12% (w/v) PEG 3350
Resolution 3.58 Å R-free 0.309
5AQ9 DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 33–392（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；PEG6000 17% W/V, AMMONIUM CHLORIDE 0.2 M, HEPES 0.05 M, PH 7.1
Resolution 1.86 Å R-free 0.204
5AQ9 DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 33–392（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；PEG6000 17% W/V, AMMONIUM CHLORIDE 0.2 M, HEPES 0.05 M, PH 7.1
Resolution 1.86 Å R-free 0.204
5AZ6 Crystal structure of MBP-Tom20 fusion protein with a 2-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；16% PEG 3350, 0.2M Disodium malonate, 0.1M HEPES (pH7.3)
Resolution 2.56 Å R-free 0.260
5AZ6 Crystal structure of MBP-Tom20 fusion protein with a 2-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；16% PEG 3350, 0.2M Disodium malonate, 0.1M HEPES (pH7.3)
Resolution 2.56 Å R-free 0.260
5AZ7 Crystal structure of MBP-Tom20 fusion protein with a 4-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A313V, C409S,A313V, C409S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；293 K；50% PEG 400, 0.1M Phosphate citrate (pH 4.4)
Resolution 1.96 Å R-free 0.242
5AZ8 Crystal structure of MBP-Tom20 fusion protein tethered with ALDH presequence via a disulfide bond Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126,UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A314V AAC ACETYLAMINO-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 8000, 20% Glycerol, 0.04M Potassium thiocyanate
Resolution 1.70 Å R-free 0.196
5AZ9 Crystal structure of (5-residue deleted)MBP-Tom20 fusion protein tethered with ALDH presequence via a disulfide bond Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 65-126
Mutation：A308V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 3350, 0.2M Potassium nitrate
Resolution 1.82 Å R-free 0.227
5AZA Crystal structure of MBP-sAglB fusion protein with a 20-residue spacer in the connector helix Deposited 2015-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa） Fragment：UNP RESIDUES 27-394,UNP RESIDUES 491-967
Mutation：A312V CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；17% PEG 10000, 0.1M Ammounium phosphate, 0.1M Bis-Tris pH5.5, 1.0M Lithium chloride
Resolution 2.08 Å R-free 0.248
5B3W Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221 form Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.214
5B3W Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221 form Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.214
5B3X Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in P41212 form Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP(Q13526) residues 5-15,UNP(P0AEX9) residues 27-393
Mutation：R382N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M DL-malic acid
Resolution 2.40 Å R-free 0.260
5B3Y Crystal structure of hPin1 WW domain (5-23) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP(Q13526) residues 5-23,UNP(P0AEX9) residues 27-393
Mutation：R390N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M Ammonium citrate
Resolution 1.90 Å R-free 0.189
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5B3Z Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Deposited 2016-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa） Fragment：UNP(Q13526) 5-39,UNP(P0AEX9) residues 27-393
Mutation：R403N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M ammonium citrate
Resolution 2.30 Å R-free 0.224
5BK2 Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody Deposited 2017-09-12 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 27–392（366 aa）
Not recorded CL CHLORIDE ION × 3 GOL GLYCEROL × 7 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M KSCN and 18% PEG 3350
Resolution 2.60 Å R-free 0.259
5BK2 Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody Deposited 2017-09-12 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded CL CHLORIDE ION × 4 GOL GLYCEROL × 4 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M KSCN and 18% PEG 3350
Resolution 2.60 Å R-free 0.259
5CBN Fusion protein of mbp3-16 and B4 domain of protein A from staphylococcal aureus with chemical cross-linker EY-CBS Deposited 2015-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa） Fragment：UNP RESIDUES 31-392
Not recorded EYC 2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid} × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；277 K；36% w/v PEG 2000, 0.2M magnesium chloride hexahydrate
Resolution 2.30 Å R-free 0.260
5CFV Fusion of Maltose-binding Protein and PilA from Acinetobacter nosocomialis M2 Deposited 2015-07-08 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 3 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；Drops were set at a ratio of 2:1 mother-liquor to protein, at 10mg/ml protein concentration. The mother-liquor consisted of 0.1M Bicine/Trizma pH 8.0, 0.06M MgCl2, 0.06M CaCl2, 25% MPD, 25% PEG3350, 25% PEG400
Resolution 1.80 Å R-free 0.228
5DIS Crystal structure of a CRM1-RanGTP-SPN1 export complex bound to a 113 amino acid FG-repeat containing fragment of Nup214 Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 32–387（356 aa）
Not recorded PRO PROLINE × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；5% PEG 8000, 0.2M L-proline, 0.1M Tris pH 7.5, 4 mM D-maltose, 180 mM LiCl
Resolution 2.85 Å R-free 0.249
5FSG Structure of the hantavirus nucleoprotein provides insights into the mechanism of RNA encapsidation and a template for drug design Deposited 2016-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–384（359 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；17% PEG3350 0.2M AMMONIUM CITRATE PH 5.0
Resolution 3.21 Å R-free 0.299
5GRU Structure of mono-specific diabody Deposited 2016-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；296 K；0.1 M Sodium citrate tribasic pH 5.6, 27.5% PEG 12000, 0.1 M Sodium iodide
Resolution 1.96 Å R-free 0.237
5GS2 Crystal structure of diabody complex with repebody and MBP Deposited 2016-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–393（367 aa） Fragment：UNP RESIDUES 27-393
Mutation：R367N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；296 K；0.1 M Sodium acetate pH 4.2, 2 M Ammonium sulfate
Resolution 3.59 Å R-free 0.278
5GXT Crystal structure of PigG Deposited 2016-09-20 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；MgCl2, Tris-HCl, pH 8.5, PEG 4000
Resolution 2.25 Å R-free 0.296
5GXV Crystal structure of PigG Deposited 2016-09-20 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；MgCl2,Tris-HCl, pH 8.5, PEG 4000
Resolution 2.10 Å R-free 0.232
5HZV Crystal structure of the zona pellucida module of human endoglin/CD105 Deposited 2016-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：;D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N,D449A, K450A, E539A, N540A, A582H, K586H, K606A, A679V, I684V, E726A, E729A, D730A AND R734N ; GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；11.5% equal mixture of MPD, PEG 1000 and PEG 3350 (1:1:1), MES/imidazole mix
Resolution 2.70 Å R-free 0.272
5HZW Crystal structure of the orphan region of human endoglin/CD105 in complex with BMP9 Deposited 2016-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–393（367 aa） Fragment：UNP Residues 27-393,UNP Residues 25-337,UNP Residues 27-393,UNP Residues 25-337
Mutation：;I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N ; NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.1 M AMMONIUM TARTRATE
Resolution 4.45 Å R-free 0.318
5I04 Crystal structure of the orphan region of human endoglin/CD105 Deposited 2016-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：;I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N,I57T, D137A, K138A, E227A, N228A, A270H, K274H, K294A, A367V, I372V, E414A, E417A, D418A, R422N ; NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PGE TRIETHYLENE GLYCOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 1000, 0.1 M TRIS-HCL
Resolution 2.42 Å R-free 0.263
5I69 MBP-MamC magnetite-interaction component mutant-D70A Deposited 2016-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–389（363 aa）
Chain A 390–396（7 aa）
Mutation：D70A Mutation：D70A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2M ammonium sulfate and 0.1M sodium citrate pH 4.5
Resolution 2.70 Å R-free 0.293
5IHJ Fusion of Maltose-binding Protein and PilA from Acinetobacter baumannii BIDMC57 Deposited 2016-02-29 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 4 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1M Bicine/Trizma pH 8.0 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.06M CaCl 0.06M MgCl 50 mM NaCl 3% EtOH
Resolution 2.20 Å R-free 0.244
5II5 Crystal structure of red abalone VERL repeat 1 at 1.8 A resolution Deposited 2016-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：N4115Q, N4122T, N4142Y,N4115Q, N4122T, N4142Y,N4115Q, N4122T, N4142Y,N4115Q, N4122T, N4142Y PGE TRIETHYLENE GLYCOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；40% PEG 600, 0.1M CHES
Resolution 1.80 Å R-free 0.233
5IIC Crystal structure of red abalone VERL repeat 3 at 2.9 A resolution Deposited 2016-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–393（367 aa）
Chain B 27–393（367 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；20% PEG 4000, 20% isopropanol, 0.1M tri-sodium citrate
Resolution 2.90 Å R-free 0.310
5JST MBP fused MDV1 coiled coil Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392,UNP RESIDUES 230-300
Chain B 27–392（366 aa） Fragment：UNP RESIDUES 27-392,UNP RESIDUES 230-300
Not recorded ACT ACETATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.3~1.7 M Sodium formate, 25% PEG 3350, 0.1 M CaCl2, 0.1 M Sodium acetate/Acetic acid, pH 4.5
Resolution 2.20 Å R-free 0.274
5M13 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Tris pH 8.5, 25 % PEG3350
Resolution 1.37 Å R-free 0.186
5M14 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Potassium thiocyanate, 30 % PEG2000MME
Resolution 1.60 Å R-free 0.216
5M14 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Potassium thiocyanate, 30 % PEG2000MME
Resolution 1.60 Å R-free 0.216
5M14 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Potassium thiocyanate, 30 % PEG2000MME
Resolution 1.60 Å R-free 0.216
5M15 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Sodium acetate, 200 mM Ammonium acetate, 30 % PEG4000, pH 4.6
Resolution 1.90 Å R-free 0.257
5M15 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Sodium acetate, 200 mM Ammonium acetate, 30 % PEG4000, pH 4.6
Resolution 1.90 Å R-free 0.257
5M15 Synthetic nanobody in complex with MBP Deposited 2016-10-07 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；100 mM Sodium acetate, 200 mM Ammonium acetate, 30 % PEG4000, pH 4.6
Resolution 1.90 Å R-free 0.257
5OSQ ZP-N domain of mammalian sperm receptor ZP3 (crystal form II, processed in P21221) Deposited 2017-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa） Fragment：UNP RESIDUES 27-393,ZP3 ZP-N domain, UNP residues 42-143
Mutation：I28T, E385A, K388A, D389A, R393N CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；SAMPLE: 15MG/ML PROTEIN IN 0.05M SODIUM CHLORIDE, 0.01M TRIS-HCL, PH7.2, 0.001M MALTOSE. RESERVOIR: 10% PEG6000, 0.2M CALCIUM CHLORIDE, 0.1M TRIS-HCL, PH7.0. SAMPLE TO RESERVOIR RATIO IN DROP: 1:1, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K
Resolution 2.05 Å R-free 0.241
5OSQ ZP-N domain of mammalian sperm receptor ZP3 (crystal form II, processed in P21221) Deposited 2017-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa） Fragment：UNP RESIDUES 27-393,ZP3 ZP-N domain, UNP residues 42-143
Mutation：I28T, E385A, K388A, D389A, R393N CA CALCIUM ION × 3 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；SAMPLE: 15MG/ML PROTEIN IN 0.05M SODIUM CHLORIDE, 0.01M TRIS-HCL, PH7.2, 0.001M MALTOSE. RESERVOIR: 10% PEG6000, 0.2M CALCIUM CHLORIDE, 0.1M TRIS-HCL, PH7.0. SAMPLE TO RESERVOIR RATIO IN DROP: 1:1, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K
Resolution 2.05 Å R-free 0.241
5WVM Crystal structure of baeS cocrystallized with 2 mM indole Deposited 2016-12-26 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Citric Acid: NaOH , 2.0M Ammonium Sulfate
Resolution 2.90 Å R-free 0.247
5WVN Crystal structure of MBS-BaeS fusion protein Deposited 2016-12-26 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Citric Acid: NaOH , Ammonium Sulfate
Resolution 2.80 Å R-free 0.270
5Y2G Structure of MBP tagged GBS CAMP Deposited 2017-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa） Fragment：UNP RESIDUES 27-392,UNP RESIDUES 1-226
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.5 M Ammonium Sulfate, 0.1 M HEPES, pH 7.0
Resolution 3.00 Å R-free 0.315
5ZCA Crystal structure of lambda repressor (1-20) fused with maltose-binding protein Deposited 2018-02-16 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6 M triammonium citrate
Resolution 1.80 Å R-free 0.215
5ZNY Structure of mDR3_DD-C363G with MBP tag Deposited 2018-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V SO4 SULFATE ION × 27 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；2.2 M ammonium sulfate, 0.1 M MES pH 5.5
Resolution 2.74 Å R-free 0.248
5ZNZ Structure of mDR3 DD with MBP tag mutant-I387V Deposited 2018-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A,I387V SO4 SULFATE ION × 26 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；2.5 M ammonium sulfate, 0.1 M MES 5.5
Resolution 2.55 Å R-free 0.274
5ZR0 Solution structure of peptidyl-prolyl cis/trans isomerase domain of Trigger Factor in complex with MBP Deposited 2018-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 238–266（29 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；295 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] MBP238-266-PPD fusion, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6APX Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 Deposited 2017-08-18 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, K362A, E359A, D363A, C258S SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；292 K；75 mM MES pH 5.9 2.4 M ammonium sulfate
Resolution 2.49 Å R-free 0.236
6CXS Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine Deposited 2018-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 27–392（366 aa） Fragment：residues 27-392
Chain D 27–392（366 aa） Fragment：residues 27-392
Not recorded FJV 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M MES, 28-36% PEG 400
Resolution 2.80 Å R-free 0.236
6D65 Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S GOL GLYCEROL × 4 SO4 SULFATE ION × 11 EOH ETHANOL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；0.15 M NaCl 0.1 M sodium cacodylate 2.0 M ammonium sulfate
Resolution 2.35 Å R-free 0.241
6D65 Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S GOL GLYCEROL × 2 SO4 SULFATE ION × 12 EOH ETHANOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；0.15 M NaCl 0.1 M sodium cacodylate 2.0 M ammonium sulfate
Resolution 2.35 Å R-free 0.241
6D66 Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein mbp3_16 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S,D82A, K83A, E172A, N173A, K239A, E362A, D363A, C258S PEG DI(HYDROXYETHYL)ETHER × 3 PO4 PHOSPHATE ION × 1 GLY GLYCINE × 3 PGE TRIETHYLENE GLYCOL × 3 EDO 1,2-ETHANEDIOL × 12 PG4 TETRAETHYLENE GLYCOL × 1 DAL D-ALANINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.2 M DL-glutamic acid 0.2 M DL-alanine 0.2 M -glycine 0.2 M-DL-lysine 0.2 M DL-serine 0.1 M Tris: Bicine 25% MPD 25% PEG1000 25% PEG3350
Resolution 2.23 Å R-free 0.202
6D67 Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16 Deposited 2018-04-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–391（365 aa）
Mutation：D82A, K83A, E172A, N173A, K239A, E359A, K362A, D363A,D82A, K83A, E172A, N173A, C258S, K239A, E359A, K362A, D363A PEG DI(HYDROXYETHYL)ETHER × 1 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.2 M DL-GLUTAMIC ACID 0.2 M DL-ALANINE 0.2 M GLYCINE 0.2 M DL-LYSINE 0.2 M DL-SERINE 0.1 M TRIS; BICINE 25% MPD 25% PEG1000 25% PEG3350
Resolution 2.55 Å R-free 0.252
6DBI Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: decameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å R-free 0.478
6DBJ Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: decameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å R-free 0.384
6DBL Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.00 Å R-free 0.410
6DBO Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.40 Å R-free 0.452
6DBQ Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.22 Å R-free 0.441
6DBR Cryo-EM structure of RAG in complex with one melted RSS and one unmelted RSS Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å R-free 0.417
6DBT Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å R-free 0.443
6DBU Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å R-free 0.451
6DBV Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: octameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.29 Å R-free 0.433
6DBW Cryo-EM structure of RAG in complex with 12-RSS substrate DNA Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: hexameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.70 Å R-free 0.386
6DBX Cryo-EM structure of RAG in complex with 12-RSS substrate DNA Deposited 2018-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: hexameric
Chain A 29–392（364 aa）
Chain C 29–392（364 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；Solutions were made fresh from concentrated to avoid microbial contamination.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å R-free 0.421
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain F 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain G 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6DM8 Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors Deposited 2018-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain H 27–392（366 aa）
Not recorded 6AK 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；PEG6000, Bicine
Resolution 2.70 Å R-free 0.288
6HD8 Crystal structure of the potassium channel MtTMEM175 in complex with a Nanobody-MBP fusion protein Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 2.40 Å R-free 0.253
6HD9 Crystal structure of the potassium channel MtTMEM175 with rubidium Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 RB RUBIDIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 3.50 Å R-free 0.291
6HDA Crystal structure of the potassium channel MtTMEM175 with cesium Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 3.80 Å R-free 0.337
6HDB Crystal structure of the potassium channel MtTMEM175 with zinc Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 8 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 2.90 Å R-free 0.286
6HDC Crystal structure of the potassium channel MtTMEM175 T38A variant in complex with a Nanobody-MBP fusion protein Deposited 2018-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 32–392（361 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28- 30% PEG400
Resolution 3.40 Å R-free 0.292
6K7D Crystal structure of MBPapo-Tim21 fusion protein with a 16-residue helical linker Deposited 2019-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa）
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MMT, pH 6.0, 24% PEG 1500 (w/v), 0.01M Betaine hydrochloride (additive)
Resolution 2.00 Å R-free 0.229
6K7E Crystal structure of MBPapo-Tim21 fusion protein with a 17-residue helical linker Deposited 2019-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa）
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M CaCl2, 0.1M HEPES, pH 7.0, 20% PEG 6000 (w/v)
Resolution 1.53 Å R-free 0.189
6K7F Crystal structure of MBPholo-Tim21 fusion protein with a 17-residue helical linker Deposited 2019-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–394（368 aa）
Mutation：A313V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M K/Na Tartrate, 16% PEG 3350 (w/v), microseeds
Resolution 1.80 Å R-free 0.216
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KEA crystal structure of MBP-tagged REV7-IpaB complex Deposited 2019-07-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–384（358 aa）
Mutation：D83A/K84A/E173A/N174A/K240A/R485A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Bistris, pH 5.6, 25% PEG3350
Resolution 2.35 Å R-free 0.226
6KI0 Crystal Structure of Human ASC-CARD Deposited 2019-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–384（358 aa） Fragment：caspase recruitment domain
Mutation：D108A,K109A,E198A,N199A,K265A SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；1.80 M Ammonium Sulfate, 0.1 M HEPES 7.0
Resolution 2.00 Å R-free 0.252
6KI0 Crystal Structure of Human ASC-CARD Deposited 2019-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–384（358 aa） Fragment：caspase recruitment domain
Mutation：D108A,K109A,E198A,N199A,K265A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；1.80 M Ammonium Sulfate, 0.1 M HEPES 7.0
Resolution 2.00 Å R-free 0.252
6LES 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion kinase Deposited 2019-11-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；2000mM Ammonium sulfate, 100mM CAPS/ Sodium hydroxide pH 10.5
Resolution 2.00 Å R-free 0.231
6LES 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion kinase Deposited 2019-11-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain X 27–392（366 aa）
Chain Y 27–392（366 aa）
Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant,D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；2000mM Ammonium sulfate, 100mM CAPS/ Sodium hydroxide pH 10.5
Resolution 2.00 Å R-free 0.231
6LF3 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta Deposited 2019-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；30% (v/v) PEG 400, 0.1M CAPS/Sodium hydroxide
Resolution 3.20 Å R-free 0.284
6LF3 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta Deposited 2019-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；30% (v/v) PEG 400, 0.1M CAPS/Sodium hydroxide
Resolution 3.20 Å R-free 0.284
6LF3 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta Deposited 2019-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A Mutation：surface entropy reduction mutant, D83A,K84A,E173A,N174A,K240A,E360A,K363A,D364A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10.5；298 K；30% (v/v) PEG 400, 0.1M CAPS/Sodium hydroxide
Resolution 3.20 Å R-free 0.284
6M4V Crystal structure of MBP fused split FKBP in complex with rapamycin Deposited 2020-03-09 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Mutation：K-131A, N-197A, E-198A, K-287A, D-288A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Na-HEPES buffer (pH 7.5), 20% (w/v) PEG 8000
Resolution 2.92 Å R-free 0.298
6M4V Crystal structure of MBP fused split FKBP in complex with rapamycin Deposited 2020-03-09 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Mutation：K-131A, N-197A, E-198A, K-287A, D-288A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Na-HEPES buffer (pH 7.5), 20% (w/v) PEG 8000
Resolution 2.92 Å R-free 0.298
6NDJ Crystal structure of human NLRP6 PYD domain with MBP fusion Deposited 2018-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–387（359 aa） Fragment：MBP (UNP residues 29-387) + PYD domain (UNP residues 14-106)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350
Resolution 2.27 Å R-free 0.229
6NDJ Crystal structure of human NLRP6 PYD domain with MBP fusion Deposited 2018-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 29–387（359 aa） Fragment：MBP (UNP residues 29-387) + PYD domain (UNP residues 14-106)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350
Resolution 2.27 Å R-free 0.229
6SIV Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif Deposited 2019-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–387（362 aa）
Mutation：;K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R,K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R,K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R,K84A,K240A,E360A,K363A,D364A,N2146E,M2147E,V2148R ; ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；PEG 1500 30%
Resolution 1.75 Å R-free 0.220
6SJA Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif Deposited 2019-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Mutation：E360A,K363A,D364A,K84A,K240A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.8；298 K；PEG 1500 30%
Resolution 1.50 Å R-free 0.191
6SLM Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP Deposited 2019-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–396（371 aa）
Not recorded ZN ZINC ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200mM tri-lithium citrate, 20% PEG 33350 protein concentration: 30mg/ml cryo condition: 35% glycerol
Resolution 2.80 Å R-free 0.268
6SMV Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif Deposited 2019-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Mutation：K84A,K240A,E360A,K363A,D364A,C1008A ZN ZINC ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.8；277 K；Lithium Acetate 200mM, PEG 3350 22.5%
Resolution 2.14 Å R-free 0.255
6SQC Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076 Deposited 2019-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–396（370 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；20% PEG6000, 100 mM Tris pH 8 and 10 mM ZnCl2
Resolution 2.28 Å R-free 0.274
6SWR Crystal structure of the lysosomal potassium channel MtTMEM175 T38A mutant soaked with zinc Deposited 2019-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–395（395 aa）
Chain D 1–395（395 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 K POTASSIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 8.5, 150 mM NaCl, 150 mM MgCl2 and 28-30 % PEG400
Resolution 3.20 Å R-free 0.299
6TZC Crystal Structure of African Swine Fever Virus A179L with the Autophagy Regulator Beclin Deposited 2019-08-12 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% PEG 3350
Resolution 2.41 Å R-free 0.253
6V2E Crystal structure of the human CLR:RAMP2 extracellular domain heterodimer with bound high-affinity adrenomedullin S45R/K46L/S48G/Q50W variant Deposited 2019-11-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–392（367 aa）
Mutation：L106R,RAMP2 L106R FMT FORMIC ACID × 3 NH2 AMINO GROUP × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；293 K；20% PEG MME 5000, 0.1 M sodium HEPEs pH 8.2, 150 mM sodium formate, 3% (v/v) dimethyl sulfoxide
Resolution 1.83 Å R-free 0.190
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6VLS Structure of C-terminal fragment of Vip3A toxin Deposited 2020-01-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；0.1 M sodium acetate pH 4.2, 0.5 M potassium formate, 0.1 M ammonium sulfate and 11% PEG4000
Resolution 3.20 Å R-free 0.239
6XRX Crystal structure of the mosquito protein AZ1 as an MBP fusion Deposited 2020-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Mutation：surface entropy reduction mutations in MBP NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 1000, 50mM MES, 100mM NaCl, 200mM MgCl2
Resolution 1.95 Å R-free 0.201
6YSN Human TRPC5 in complex with Pico145 (HC-608) Deposited 2020-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded PJQ 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
6ZHO Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor Deposited 2020-06-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded QLQ ~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide × 1 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000
Resolution 1.60 Å R-free 0.214
6ZIS Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor Deposited 2020-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 3 3N6 N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000
Resolution 1.73 Å R-free 0.244
7BG0 Fusion of MBP and the backbone of the long-acting amylin analog AM833. Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Chain B 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；20mM Tris pH 7.4, 50mM NaCl, 0.02 M magnesium chloride, 0.1 M HEPES pH 7.5, 22 %(w/v) polyacrylic acid 5100 sodium salt
Resolution 2.89 Å R-free 0.279
7BG0 Fusion of MBP and the backbone of the long-acting amylin analog AM833. Deposited 2021-01-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 27–387（361 aa）
Chain E 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；20mM Tris pH 7.4, 50mM NaCl, 0.02 M magnesium chloride, 0.1 M HEPES pH 7.5, 22 %(w/v) polyacrylic acid 5100 sodium salt
Resolution 2.89 Å R-free 0.279
7DD9 Cryo-EM structure of the Ams1 and Nbr1 complex Deposited 2020-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Chain E 27–392（366 aa）
Chain G 27–392（366 aa）
Not recorded ZN ZINC ION × 12 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；blot for 5 seconds before plunging
Resolution 2.40 Å
7DDE Cryo-EM structure of the Ape4 and Nbr1 complex Deposited 2020-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Chain E 27–392（366 aa）
Chain G 27–392（366 aa）
Chain I 27–392（366 aa）
Chain K 27–392（366 aa）
Chain M 27–392（366 aa）
Chain O 27–392（366 aa）
Chain Q 27–392（366 aa）
Chain S 27–392（366 aa）
Chain V 27–392（366 aa）
Chain X 27–392（366 aa）
Not recorded ZN ZINC ION × 48 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；blot for 5 seconds before plunging
Resolution 2.26 Å
7E29 Crystal Structure of Saccharomyces cerevisiae Ioc4 PWWP domain fused with MBP Deposited 2021-02-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：E385A, K388A, D389A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；Potassium thiocyanate, Polyethylene glycol monomethyl ether 2000
Resolution 2.30 Å R-free 0.229
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–395（369 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 27–395（369 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 27–395（369 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7JTR Complex of maltose-binding protein (MBP) with single-chain Fv (scFv) Deposited 2020-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 27–395（369 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；0.2 M ammonium sulfate, 20% v/v PEG 4000
Resolution 2.50 Å R-free 0.237
7K48 Structure of NavAb/Nav1.7-VS2A chimera trapped in the resting state by tarantula toxin m3-Huwentoxin-IV Deposited 2020-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Mutation：R398A,L506A,M513V Mutation：R398A,L506A,M513V Mutation：R398A,L506A,M513V Mutation：R398A,L506A,M513V No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；Blot for 2.5-4.0 seconds before plunging
Resolution 3.60 Å
7MHW Crystal structure of the protease inhibitor U-Omp19 from Brucella abortus fused to Maltose-binding protein Deposited 2021-04-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：D(-233)A,K(-232)A,K(-76)A,E44A,K47A,D48A SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；2.4 M ammonium sulfate, 0.1 M sodium citrate
Resolution 2.55 Å R-free 0.242
7MN5 Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain Deposited 2021-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 27–392（366 aa） Fragment：Extracellular Domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.93 Å
7MN6 Structure of the HER2 S310F/HER3/NRG1b Heterodimer Extracellular Domain Deposited 2021-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 27–392（366 aa） Fragment：Extracellular Domain
Mutation：S310F NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.09 Å
7MN8 Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain bound to Trastuzumab Fab Deposited 2021-04-30 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain B 27–392（366 aa）
Mutation：S310F NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.45 Å
7NZM Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) Deposited 2021-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 26–396（371 aa）
Not recorded MN MANGANESE (II) ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；0.22mM Triton X-100 was added into the solution before plunging.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.96 Å
7O2W Structure of the C9orf72-SMCR8 complex Deposited 2021-03-31 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
7P0F Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125 Deposited 2021-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded 7IR (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS PH 5.5, 0.1 M AMMONIUM ACETATE, 15 % PEG 10,000
Resolution 1.85 Å R-free 0.249
7P0I Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13 Deposited 2021-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 2 7IU (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000
Resolution 2.30 Å R-free 0.251
7P1G Structure of the P. aeruginosa ExoY-F-actin complex Deposited 2021-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 15 PDB declaration: pentadecameric
Chain K 27–392（366 aa）
Chain L 27–392（366 aa）
Chain M 27–392（366 aa）
Chain N 27–392（366 aa）
Chain O 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 10 GH3 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE × 5 ADP ADENOSINE-5'-DIPHOSPHATE × 5 PO4 PHOSPHATE ION × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
7P1H Structure of the V. vulnificus ExoY-G-actin-profilin complex Deposited 2021-07-01 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded CA CALCIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
7RW6 BORF2-APOBEC3Bctd Complex Deposited 2021-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–384（358 aa）
Chain C 27–384（358 aa）
Mutation：K-131A, N -197A, E -198A, K-287A, D-288A Mutation：K-131A, N -197A, E -198A, K-287A, D-288A ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.55 Å
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7T31 X-ray Structure of Clostridiodies difficile PilW Deposited 2021-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–393（367 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol
Resolution 2.30 Å R-free 0.245
7TSZ BamABCDE bound to substrate EspP class 1 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.50 Å
7TT0 BamABCDE bound to substrate EspP class 2 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT1 BamABCDE bound to substrate EspP class 4 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT2 BamABCDE bound to substrate EspP class 3 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7TT3 BamABCDE bound to substrate EspP class 5 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT4 BamABCDE bound to substrate EspP class 6 Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7TT5 BamABCDE bound to substrate EspP in the open-sheet EspP state Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT6 BamABCDE bound to substrate EspP in the intermediate-open EspP state Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
7TT7 BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state Deposited 2022-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain P 26–392（367 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.80 Å
7UAJ Crystal structure of apo HPV16 E6 Deposited 2022-03-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded ZN ZINC ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M HEPES, 8% ethylene glycol and 10% PEG 8000 at pH 7.5
Resolution 3.25 Å R-free 0.282
7VGQ Cryo-EM structure of Machupo virus polymerase L in complex with matrix protein Z Deposited 2021-09-18 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å
7VH1 Cryo-EM structure of Machupo virus dimeric L-Z complex Deposited 2021-09-20 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7VQO Cryo-EM structure of Ams1 bound to the FW domain of Nbr1 Deposited 2021-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded ZN ZINC ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；blot for 3 seconds before plunging
Resolution 2.19 Å
7WR3 Crystal structure of MBP-fused OspC3 in complex with calmodulin Deposited 2022-01-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–384（358 aa）
Not recorded SO4 SULFATE ION × 2 NCA NICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.1 M Tris pH 8.2-8.4, 0.2 M Lithium Sulfate, 0.7% 1-Butanol
Resolution 1.87 Å R-free 0.228
7WR3 Crystal structure of MBP-fused OspC3 in complex with calmodulin Deposited 2022-01-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–384（358 aa）
Not recorded SO4 SULFATE ION × 2 NCA NICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG3350, 0.1 M Tris pH 8.2-8.4, 0.2 M Lithium Sulfate, 0.7% 1-Butanol
Resolution 1.87 Å R-free 0.228
7XQC Crystal structure of N-terminal domain of Rv2908c fused with Maltose Binding Protein (MBP) Deposited 2022-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；291.15 K；20 mM Na/K Phosphate, 20% (v/v) PEG 3350
Resolution 2.80 Å R-free 0.254
7XQC Crystal structure of N-terminal domain of Rv2908c fused with Maltose Binding Protein (MBP) Deposited 2022-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；291.15 K；20 mM Na/K Phosphate, 20% (v/v) PEG 3350
Resolution 2.80 Å R-free 0.254
7Y5Q Structure of 1:1 PAPP-A.STC2 complex(half map) Deposited 2022-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
7Z7H Structure of P. luminescens TccC3-F-actin complex Deposited 2022-03-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain F 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 5 MG MAGNESIUM ION × 5 APR ADENOSINE-5-DIPHOSPHORIBOSE × 1 NCA NICOTINAMIDE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8AG0 Crystal structure of mutant PRELID3a-TRIAP1 complex - R53E Deposited 2022-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293.15 K；Sodium acetate pH 4.6, 8% (w/v) PEG 4000
Resolution 2.70 Å R-free 0.304
8AX5 Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 Deposited 2022-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded OKU (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000
Resolution 2.75 Å R-free 0.277
8AX6 Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 Deposited 2022-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded OP9 (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS PH 5.5, 0.1 M AMMONIUM ACETATE, 15 % PEG 10,000
Resolution 1.90 Å R-free 0.244
8AX7 Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 Deposited 2022-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 OL0 (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione × 1 ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000
Resolution 1.65 Å R-free 0.251
8AX8 Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P3121) Deposited 2022-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–392（369 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；HEPES, PEG3350
Resolution 1.55 Å R-free 0.231
8AX9 Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P212121) Deposited 2022-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–392（369 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；HEPES, PEG3350
Resolution 1.55 Å R-free 0.195
8C5L NR2F6 ligand binding domain in complex with NSD1 peptide Deposited 2023-01-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A in Maltose/maltodextrin-binding periplasmic protein (Uniprot ID P0AEX9) Mutation：D108A,K109A,E198A,N199A,K265A,E385A,K388A,D389A in Maltose/maltodextrin-binding periplasmic protein (Uniprot ID P0AEX9) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；90 mM SPG pH 8.0, 22.5% w/v PEG1500, 100 mM potassium chloride
Resolution 2.60 Å R-free 0.233
8CR9 Cryo-EM structure of PcrV/Fab(30-B8) Deposited 2023-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 29–384（356 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1xPBS
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 4.20 Å
8CRB Cryo-EM structure of PcrV/Fab(11-E5) Deposited 2023-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 29–384（356 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1xPBS
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 4.60 Å
8EKX Structure of MBP-Mcl-1 in complex with MIK665 Deposited 2022-09-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A OK5 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；290 K；30% (w/v) PEG 3350, 0.1 M magnesium formate
Resolution 1.55 Å R-free 0.214
8EL0 Structure of MBP-Mcl-1 in complex with a macrocyclic compound Deposited 2022-09-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A WLW (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；290 K；26% (w/v) PEG 3350, 0.05 M magnesium formate
Resolution 1.92 Å R-free 0.224
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8EL1 Structure of MBP-Mcl-1 in complex with ABBV-467 Deposited 2022-09-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 27–392（366 aa）
Mutation：K194A,K197A,R201A WME (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；290 K；25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid)
Resolution 2.41 Å R-free 0.291
8FNE phiPA3 PhuN Tetramer, p2 Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Chain G 27–392（366 aa）
Chain H 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.5；0.25 cOmplete Protease Inhibitor Tablet also included
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
8FV5 Representation of 16-mer phiPA3 PhuN Lattice, p2 Deposited 2023-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 32 PDB declaration: 32-meric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Chain G 27–392（366 aa）
Chain H 27–392（366 aa）
Chain I 27–392（366 aa）
Chain J 27–392（366 aa）
Chain K 27–392（366 aa）
Chain L 27–392（366 aa）
Chain M 27–392（366 aa）
Chain N 27–392（366 aa）
Chain O 27–392（366 aa）
Chain P 27–392（366 aa）
Chain Q 27–392（366 aa）
Chain R 27–392（366 aa）
Chain S 27–392（366 aa）
Chain T 27–392（366 aa）
Chain U 27–392（366 aa）
Chain V 27–392（366 aa）
Chain W 27–392（366 aa）
Chain X 27–392（366 aa）
Chain Y 27–392（366 aa）
Chain Z 27–392（366 aa）
Chain a 27–392（366 aa）
Chain b 27–392（366 aa）
Chain c 27–392（366 aa）
Chain d 27–392（366 aa）
Chain e 27–392（366 aa）
Chain f 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 6.5；0.25 cOmplete Protease Inhibitor Tablet also included
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.21 Å
8G8W Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 Deposited 2023-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 33–392（360 aa）
Chain C 33–392（360 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 1 CDL CARDIOLIPIN × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 6
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8HGH Structure of 2:2 PAPP-A.STC2 complex Deposited 2022-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.16 Å
8HLB Cryo-EM structure of biparatopic antibody Bp109-92 in complex with TNFR2 Deposited 2022-11-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 27–391（365 aa）
Mutation：A490V No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；1x PBS
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.63 Å
8J25 Crystal structure of PML B-box2 mutant Deposited 2023-04-14 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：C213A,A216V ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；22% PEG 3350
Resolution 2.60 Å R-free 0.248
8J2P Crystal structure of PML B-box2 Deposited 2023-04-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain E 27–392（366 aa）
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；20% PEG 3350
Resolution 2.09 Å R-free 0.235
8J2P Crystal structure of PML B-box2 Deposited 2023-04-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；20% PEG 3350
Resolution 2.09 Å R-free 0.235
8JI0 Cryo-EM structure of the TcsH-CROP in complex with TMPRSS2 Deposited 2023-05-25 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8JXR Structure of nanobody-bound DRD1_LSD complex Deposited 2023-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 27–394（368 aa）
Mutation：E360Q,K363A,D364F,T367I,R368L 7LD (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.57 Å
8JXS Structure of nanobody-bound DRD1_PF-6142 complex Deposited 2023-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 27–394（368 aa）
Mutation：E360Q,K363A,D364F,T367I,R368L,D404E,A405H V6X 4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8QSO Crystal structure of human Mcl-1 in complex with compound 1 Deposited 2023-10-10 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded WXW (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；1.94 M Ammonium Citrate pH 7.0
Resolution 2.11 Å R-free 0.250
8SBU Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii Deposited 2023-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–396（396 aa）
Mutation：D89A,K90A,E179A,N180A,K246A,E366A,K369A,D370A,R374N,I375A,T376A,K377A,I376A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；Lithium sulphate, PEG400
Resolution 2.20 Å R-free 0.274
8SBU Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii Deposited 2023-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–396（396 aa）
Mutation：D89A,K90A,E179A,N180A,K246A,E366A,K369A,D370A,R374N,I375A,T376A,K377A,I376A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；Lithium sulphate, PEG400
Resolution 2.20 Å R-free 0.274
8T6F Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor Deposited 2023-06-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 1 YI7 (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；3.75 mg/mL MBP-MCL1, 17.5 mM HEPES pH 7.5, 8% PEG 3350, 5% MPD, 5% DMSO, 2.5% PEG400, 75mM NaCl, 25mM Magnesium Formate, 0.75mM DTT, 0.75 mM Maltose, 0.5mM ANJ810, 0.375% glycerol, ~10-4 diluted microseeds, equilibrated against 1.5M NaCl in a EasyXtal 15-Well DropGuard Crystallization Tool
Resolution 1.56 Å R-free 0.218
8TLV Crystal structure of MBP and AF9 AHD fusion protein 4AQK in complex with peptidomimetic inhibitor 28 Deposited 2023-07-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded GSH Glutathione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20-30% PEG3350, 0.1 M HEPES pH 7.5, and 0.2 M ammonium acetate
Resolution 2.66 Å R-free 0.246
8TLW Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic inhibitor 28 Deposited 2023-07-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20-30% PEG3350, 0.1 M Bis-Tris pH 5.5
Resolution 2.11 Å R-free 0.213
8TLX Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic inhibitor 21a Deposited 2023-07-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20-30% PEG3350 and 0.1 M Bis-Tris pH 5.5
Resolution 2.10 Å R-free 0.227
8TNP Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–396（370 aa）
Mutation：engineered to enhance binding of cereblon/DDB1 in the presence of IMiD derivatives ZN ZINC ION × 2 Y70 S-Pomalidomide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；20 mM HEPES/NaOH pH 7.0, 150 mM NaCl, and 3 mM TCEP. DMSO concentrations were kept below 2% (v/v)
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM-GP plunge freezer with chamber conditions of 10 C and 90% relative humidity. Grids were first pre-incubated with 4 uL of 10 uM CRBN-agnostic IKZF1_140-196_Q146A,G151N for 1 minute and then blotted from behind for 4 s. Immediately, 4 uL of mixture 1 diluted 10-fold--with the dilution buffer during the 1-minute incubation time--was applied to the grids before blotting for 4 s and plunging into liquid ethane at -181 C.
Resolution 3.30 Å
8TNQ Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–396（370 aa）
Mutation：engineered to enhance binding of cereblon/DDB1 in the presence of IMiD derivatives ZN ZINC ION × 2 MIQ 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；20 mM HEPES/NaOH pH 7.0, 150 mM NaCl, and 3 mM TCEP. DMSO concentrations were kept below 2% (v/v)
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM-GP plunge freezer with chamber conditions of 10 C and 90% relative humidity. Grids were first pre-incubated with 4 uL of 10 uM CRBN-agnostic IKZF1_140-196_Q146A,G151N for 1 minute and then blotted from behind for 4 s. Immediately, 4 uL of mixture 1 diluted 10-fold--with the dilution buffer during the 1-minute incubation time--was applied to the grids before blotting for 4 s and plunging into liquid ethane at -181 C.
Resolution 2.41 Å
8TNR Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 2 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–396（370 aa）
Mutation：engineered to enhance binding of cereblon/DDB1 in the presence of IMiD derivatives ZN ZINC ION × 2 MIQ 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；20 mM HEPES/NaOH pH 7.0, 150 mM NaCl, and 3 mM TCEP. DMSO concentrations were kept below 2% (v/v)
cryo-EM vitrification conditions Cryogen ETHANE；Leica EM-GP plunge freezer with chamber conditions of 10 C and 90% relative humidity. Grids were first pre-incubated with 4 uL of 10 uM CRBN-agnostic IKZF1_140-196_Q146A,G151N for 1 minute and then blotted from behind for 4 s. Immediately, 4 uL of mixture 1 diluted 10-fold--with the dilution buffer during the 1-minute incubation time--was applied to the grids before blotting for 4 s and plunging into liquid ethane at -181 C.
Resolution 2.50 Å
8VG0 Cryo-EM structure of GATA4 in complex with ALBN1 nucleosome Deposited 2023-12-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 9 PDB declaration: undecameric
Chain T 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.07 Å
8VG1 Cryo-EM structure of FoxA1 and GATA4 in complex with ALBN1 nucleosome Deposited 2023-12-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 10 PDB declaration: dodecameric
Chain T 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.48 Å
8VRS Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody Deposited 2024-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa） Fragment：residues 14421-14446 of mucin-16
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；0.1M Sodium Citrate, pH 5.0, 10mM Barium Chloride, 27% PEG MME 5000
Resolution 2.47 Å R-free 0.237
8VRS Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody Deposited 2024-01-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 27–392（366 aa） Fragment：residues 14421-14446 of mucin-16
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；0.1M Sodium Citrate, pH 5.0, 10mM Barium Chloride, 27% PEG MME 5000
Resolution 2.47 Å R-free 0.237
8VWX Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein Deposited 2024-02-02 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：G101V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；100 mM Tris (pH 8.5), 25% PEG 3350, and 200 mM sodium chloride
Resolution 1.77 Å R-free 0.225
8VWZ Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 Deposited 2024-02-02 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：G101V F3Q ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；100 mM bis-tris (pH 5.5), 2 M ammonium sulfate
Resolution 2.33 Å R-free 0.256
8VXM Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 Deposited 2024-02-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded F3Q ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100 mM Tris (pH 8.5), 25% PEG 3350, 200 mM lithium sulfate
Resolution 2.10 Å R-free 0.243
8VXN Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein Deposited 2024-02-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；100 mM Tris (pH 8.0), 29% PEG 3350, 200 mM sodium chloride
Resolution 2.09 Å R-free 0.264
8X2X The piccolo NuA4 bound to the H2A.Z nucleosome complex at pre-H4-acetylation state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8X2Y The class1 of piccolo NuA4 bound to the H2A.Z nucleosome complex at harboring state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.10 Å
8X2Z The class2 of piccolo NuA4 bound to the H2A.Z nucleosome complex at harboring state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
8X30 Structure of piccolo NuA4 and H2A.Z nucleosome 2:1 complex Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 15 PDB declaration: heptadecameric
Chain P 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
8X31 The piccolo NuA4 bound to the H2A.Z nucleosome complex with Ac-CoA at resetting state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.20 Å
8X32 The piccolo NuA4 bound to the H2A.Z nucleosome-H4KQ Complex with Ac-CoA at resetting state Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: tetradecameric
Chain L 1–392（392 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.40 Å
8X7V Structure of human SCMC ternary complex Deposited 2023-11-26 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.01 Å
8X7W Structure of dimeric human SCMC complex Deposited 2023-11-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.36 Å
8XB2 Structure of radafaxine-bound state of the human Norepinephrine Transporter Deposited 2023-12-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 YNT Radafaxine × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.04 Å
8XB3 Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter Deposited 2023-12-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded YMN Iobenguane × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8XB4 Structure of apo state of the human Norepinephrine Transporter Deposited 2023-12-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.92 Å
8YBE Cryo-EM structure of Maltose Binding Protein Deposited 2024-02-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：A338V No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.30 Å
8YRQ Cryo-EM Structure of Human Protease-Activated Receptor 4 in complex with Gq heterotrimers and ScFv16 bound to Tethered Ligand Deposited 2024-03-21 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions Resolution 2.80 Å
8ZCS Crystal structure of the MBP-MCL1 complex with highly selective and potent Cyclic peptide inhibitor Deposited 2024-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；0.2 M MgCl2, 0.1 Tris pH 8.5, 25% w/v Polyethylene glycol 3,350
Resolution 2.79 Å R-free 0.296
8ZHS Structure of Mbp-Bte1 fusion protein Deposited 2024-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Mutation：D108A/K109A/E198A/N199A/K265A Mutation：D108A/K109A/E198A/N199A/K265A GOL GLYCEROL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；10% v/v 2-Propanol, 0.1 M BICINE pH 8.5 and 30% w/v PEG1500
Resolution 2.40 Å R-free 0.238
8ZMR Vesamicol-bound VAChT Deposited 2024-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Mutation：A520E A1LWL vesamicol × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
8ZMS Acetylcholine-bound VAChT Deposited 2024-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Mutation：A520E ACH ACETYLCHOLINE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
9BCG Myeloid cell leukemia-1 (Mcl-1) complexed with compound Deposited 2024-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 26–392（367 aa）
Not recorded A1ALT 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；PEG 3350, Bis-Tris, Magnesium chloride
Resolution 1.90 Å R-free 0.210
9BDE Middle Region of Apolipoprotein B 100 bound to Low Density Lipoprotein Receptor Deposited 2024-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 27–384（358 aa） Fragment：;residues 27-384 (Uniprot numbering),residues 278-327 (Uniprot numbering),103-151 (Uniprot numbering),residues 440-497 (Uniprot numbering) ;
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 CA CALCIUM ION × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.18 Å
9BOI Cryo-EM structure of human Spns1 in complex with LPC (18:1) Deposited 2024-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Not recorded 42H (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 5.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.22 Å
9CER Guillardia theta Fanzor (GtFz) State 1 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: dimeric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 4.70 Å
9CES Guillardia theta Fanzor (GtFz) State 2 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.28 Å
9CET Guillardia theta Fanzor (GtFz) State 3 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.00 Å
9CEU Spizellomyces punctatus Fanzor (SpuFz) State 1 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.29 Å
9CEV Spizellomyces punctatus Fanzor (SpuFz) State 2 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.26 Å
9CEW Spizellomyces punctatus Fanzor (SpuFz) State 3 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: hexameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 2.88 Å
9CEX Spizellomyces punctatus Fanzor (SpuFz) State 4 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: hexameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 MG MAGNESIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.27 Å
9CEY Spizellomyces punctatus Fanzor (SpuFz) State 5 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.22 Å
9CEZ Spizellomyces punctatus Fanzor (SpuFz) State 6 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: tetrameric
Chain P 27–392（366 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.41 Å
9CF0 Parasitella parasitica Fanzor (PpFz) State 1 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: pentameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.47 Å
9CF1 Parasitella parasitica Fanzor (PpFz) State 2 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: pentameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.52 Å
9CF2 Parasitella parasitica Fanzor (PpFz) State 3 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: heptameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.15 Å
9CF3 Parasitella parasitica Fanzor (PpFz) State 4 Deposited 2024-06-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: pentameric
Chain P 27–392（366 aa）
Not recorded ZN ZINC ION × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.20 Å
9CLC Crystal structure of maltose binding protein (Apo), mutant Trp10 to 4-Cyanotryptophan Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：T356A Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 6 CD CADMIUM ION × 3 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 11 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；30% v/v PEG400, 100 mM sodium acetate (pH 4.6), 100 mM cadmium chloride
Resolution 1.48 Å R-free 0.165
9CLD Crystal structure of maltose binding protein (Apo) Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–396（370 aa）
Mutation：T356A PEG DI(HYDROXYETHYL)ETHER × 6 EDO 1,2-ETHANEDIOL × 4 PGE TRIETHYLENE GLYCOL × 2 NA SODIUM ION × 6 CD CADMIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；30% v/v PEG400, 100 mM sodium acetate (pH 4.6), 100 mM cadmium chloride
Resolution 1.58 Å R-free 0.174
9DH3 Cryo-EM structure of NLRP3 complex with Compound C Deposited 2024-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 4 A1A4L 2-[(4S)-5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N-(pyrimidin-4-yl)acetamide × 4 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.76 Å
9E0V GSDMD bound to a peptide Deposited 2024-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 29–392（364 aa） Fragment：MBP + GSD (UNP residues 276-484)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；289.15 K；0.1 M HEPES, pH 7.5, 1.25 M sodium citrate dihydrate, 20 mM TCEP
Resolution 1.64 Å R-free 0.212
9EKO A chimeric hybrid protein fused with the FGFR3 Transmembrane Domain Deposited 2024-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–387（361 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.90 Å R-free 0.287
9F5W Human condensin II - M18BP1 complex Deposited 2024-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain M 26–396（371 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 7.50 Å
9FGV Cryo-EM structure of MBP homo-dimer assembled by homo Di-Gluebody Deposited 2024-05-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain C 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.39 Å
9FKQ Cryo-EM structure of MBP homo-dimer assembled by homo Di-Gluebody - MBP local refinement Deposited 2024-06-03 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.45 Å
9FYQ Cryo-EM structure of native SV2A in complex with TeNT-Hc, gangliosides and Pro-Macrobody 5 Deposited 2024-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 33–392（360 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 6UZ omega-undecylenyl-beta-D-maltopyranoside × 1 A1IHM (2~{R},4~{R},5~{S},6~{S})-2-[(2~{R},3~{R})-3-[(2~{R},3~{S},4~{S},6~{S})-6-[(2~{S},3~{S},4~{R},5~{S},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[2-(octadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-oxan-4-yl]oxy-3-azanyl-6-carboxy-4-oxidanyl-oxan-2-yl]-2,3-bis(oxidanyl)propoxy]-5-azanyl-4-oxidanyl-6-[(1~{R},2~{S})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid × 1 A1IHN (2~{S},4~{S},5~{R},6~{S})-5-acetamido-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(2~{S},4~{S},5~{S},6~{S})-5-acetamido-2-carboxy-4-oxidanyl-6-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[2-(docosanoylamino)-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(2-oxidanylidenepropyl)oxan-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；10 mM Hepes-NaOH 7.5, 150 mM NaCl, 3 mM maltose, 0.03 % n-dodecyl-beta-D-maltopyranoside, 0.006% cholesterol hemisuccinate
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.25 Å
9FYR Cryo-EM structure of native SV2A in complex with TeNT-Hc, Pro-Macrobody 5 and Levetiracetam Deposited 2024-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 33–392（360 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 6UZ omega-undecylenyl-beta-D-maltopyranoside × 1 UKX (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；10 mM Hepes-NaOH 7.5, 150 mM NaCl, 3 mM maltose, 0.03 % n-dodecyl-beta-D-maltopyranoside, 0.006% cholesterol hemisuccinate, 250 uM Levetiracetam
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å
9HDO The Human LINE-1 ORF2p target-primed reverse transcription complex Deposited 2024-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded MG MAGNESIUM ION × 1 ZN ZINC ION × 1 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.30 Å
9HDP The Human LINE-1 ORF2p target-primed reverse transcription complex with the fingers domain in a closed conformation Deposited 2024-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded MG MAGNESIUM ION × 1 ZN ZINC ION × 1 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å
9HDQ The Human LINE-1 ORF2p target-primed reverse transcription complex with the fingers domain in an open conformation Deposited 2024-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.45 Å
9HDR Human LINE-1 ORF2p target-primed reverse transcription complex with EN domain resolved Deposited 2024-11-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: heptameric
Chain A 29–392（364 aa）
Not recorded MG MAGNESIUM ION × 1 ZN ZINC ION × 1 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9IP2 Cryo-EM structure of the RNA-dependent RNA polymerase complex from Marburg virus Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain E 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25 mM HEPES, 500 mM NaCl, 1 mM TCEP, 6 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å R-free 0.301
9IP3 Cryo-EM structure of the RNA-dependent RNA polymerase complex in a compact conformation from Ebola virus Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain E 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25 mM HEPES, 300 mM NaCl, 1 mM TCEP, 6 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9IP4 Cryo-EM structure of the RNA-dependent RNA polymerase complex from Marburg virus Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain E 29–392（364 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25 mM HEPES, 500 mM NaCl, 1 mM TCEP, 6 mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å R-free 0.327
9J64 Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B homodimer complexed with FNIP1 degron Deposited 2024-08-14 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric
Chain J 27–392（366 aa）
Not recorded ZN ZINC ION × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.28 Å
9J84 Structureal mechanism of human TRPM3 ion channel inhibition Deposited 2024-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded A1EA5 ~{N}-[(3~{S})-3-(hydroxymethyl)piperidin-3-yl]-6-[(4-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.21 Å
9K4I Cryo-EM structure of the human TRPC1/C5 heteromer Deposited 2024-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded CA CALCIUM ION × 3 Y01 CHOLESTEROL HEMISUCCINATE × 3 YZY (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å
9KP4 Crystal structure of human CASTOR1 in apo form Deposited 2024-11-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded NH4 AMMONIUM ION × 2 ACY ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Barium chloride, 30% v/v ethanol, 0.2 M NH4Ac, 0.1 M Tris pH 8.5, and 25% PEG 3350.
Resolution 3.08 Å R-free 0.264
9KP4 Crystal structure of human CASTOR1 in apo form Deposited 2024-11-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded NH4 AMMONIUM ION × 2 ACY ACETIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Barium chloride, 30% v/v ethanol, 0.2 M NH4Ac, 0.1 M Tris pH 8.5, and 25% PEG 3350.
Resolution 3.08 Å R-free 0.264
9LN6 Structure of human NLRP14-UHRF1 complex Deposited 2025-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.49 Å
9O9S Structure of human MPC matrix-open Deposited 2025-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 29–384（356 aa）
Not recorded I2R (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.57 Å
9O9T Structure of human MPC IMS-open Deposited 2025-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 29–384（356 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.31 Å
9PQ5 MBP-Mcl1 in complex with ligand 8 Deposited 2025-07-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1CMI 17-chloranyl-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；285 K；19% (w/v) PEG3350, 0.17M Magnesium formate
Resolution 1.28 Å R-free 0.195
9PQ6 MBP-Mcl1 in complex with ligand 12 Deposited 2025-07-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1CMH 17-chloranyl-33-fluoranyl-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 4 FMT FORMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；285 K；19% (w/v) PEG3350, 0.17M Magnesium formate
Resolution 1.53 Å R-free 0.211
9PQ7 MBP-Mcl1 in complex with ligand 21b Deposited 2025-07-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1CMG 17-chloranyl-33-fluoranyl-12-[2-(2-methoxyethoxy)ethyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11(15),13,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1 FMT FORMIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；285 K；19% (w/v) PEG3350, 0.17M Magnesium formate
Resolution 1.24 Å R-free 0.171
9PX5 Crystal structure of Fab 7268 in complex with MBP-TREM2 Ig domain fusion Deposited 2025-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 27–392（366 aa） Fragment：Ig domain of TREM-2
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；11% PEG 8000, 240mM ammonium sulfate, 100mM MES
Resolution 3.70 Å R-free 0.268
9SKR Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, hexamer Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.13 Å
9SKR Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, hexamer Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.13 Å
9SKR Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, hexamer Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.13 Å
9SKS Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, dimer, major state, active conformation Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.15 Å
9SKT Cryo-EM structure of H. neapolitanus CsoSCA in oxidizing conditions, dimer, minor state Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.45 Å
9SKU Cryo-EM structure of H. neapolitanus CsoSCA in reducing conditions, hexamer Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.06 Å
9SKV Cryo-EM structure of H. neapolitanus CsoSCA in reducing conditions, dimer, major state, inactive conformation Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.12 Å
9SKW Cryo-EM structure of H. neapolitanus CsoSCA in reducing conditions, dimer, minor state Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.27 Å
9SKX Cryo-EM structure of H. neapolitanus CsoSCA C283A/C284A inactive mutant, hexamer Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.08 Å
9SKY Cryo-EM structure of H. neapolitanus CsoSCA C283A/C284A inactive mutant, dimer, state 1 Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.18 Å
9SKZ Cryo-EM structure of H. neapolitanus CsoSCA C283A/C284A inactive mutant, dimer, state 2 Deposited 2025-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4C, 100% relative humidity, delay time 0s, blot time 3s, blot force 0
Resolution 2.22 Å
9T3X cryo-EM structure of CPSF160-WDR33-ZC3H18 Deposited 2025-10-30 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20mM HEPES pH 7.5, 150mM NaCl, 5mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 2.10 Å
9TNZ SP100 CARD filament Deposited 2025-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 26 PDB declaration: 26-meric
Chain A 27–361（335 aa）
Chain AA 27–361（335 aa）
Chain B 27–361（335 aa）
Chain C 27–361（335 aa）
Chain D 27–361（335 aa）
Chain E 27–361（335 aa）
Chain F 27–361（335 aa）
Chain G 27–361（335 aa）
Chain H 27–361（335 aa）
Chain I 27–361（335 aa）
Chain J 27–361（335 aa）
Chain K 27–361（335 aa）
Chain L 27–361（335 aa）
Chain M 27–361（335 aa）
Chain N 27–361（335 aa）
Chain O 27–361（335 aa）
Chain P 27–361（335 aa）
Chain Q 27–361（335 aa）
Chain R 27–361（335 aa）
Chain S 27–361（335 aa）
Chain T 27–361（335 aa）
Chain V 27–361（335 aa）
Chain W 27–361（335 aa）
Chain X 27–361（335 aa）
Chain Y 27–361（335 aa）
Chain Z 27–361（335 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.52 Å
9UJY The structure of Egalitarian in complex with the K10 mRNA localization signal reveals a modular binding surface required for function Deposited 2025-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–387（359 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；277 K；100 mM Tris-HCl, pH 7.5, 18% (w/v) PEG 6000, 50 mM MgCl2
Resolution 2.26 Å R-free 0.206
9UU0 The structure of Bacteroides fragilis T6SS effector BteO Deposited 2025-05-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；300 K；0.1M sodium citrate pH 3.9, 12% w/v PEG35000
Resolution 2.72 Å R-free 0.297
9UU0 The structure of Bacteroides fragilis T6SS effector BteO Deposited 2025-05-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 27–392（366 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；300 K；0.1M sodium citrate pH 3.9, 12% w/v PEG35000
Resolution 2.72 Å R-free 0.297
9VBD Cryo-EM structure of CARD1 ectodomain Deposited 2025-06-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CU COPPER (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；3 microliters droplet, 5 seconds delay before blotting, 3 seconds blot, 0 second delay before plunging.
Resolution 3.26 Å
9VBV Cryo-EM structure of a CARD1 ectodomain H197A/H199A/H222A mutant Deposited 2025-06-05 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Mutation：H197A/H199A/H222A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；3 microliters droplet, 5 seconds delay before blotting, 3 seconds blot, 0 second delay before plunging.
Resolution 3.61 Å
9VUI Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase complex bound to viral protein C Deposited 2025-07-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 7 PDB declaration: heptameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Chain X 29–392（364 aa）
Chain Y 29–392（364 aa）
Not recorded ZN ZINC ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.72 Å
9VUJ Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase Deposited 2025-07-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.60 Å
9VUK Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase complex Deposited 2025-07-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；150mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.17 Å
9VUL Cryo-EM structure of the human measles virus RNA-dependent RNA polymerase bound to allosteric inhibitor ERDRP-0519 Deposited 2025-07-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 2 A1EF9 2-methyl-~{N}-[4-[(2~{S})-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.13 Å
9VUM Cryo-EM structure of the Nipah virus RNA-dependent RNA polymerase complex bound to allosteric inhibitor ERDRP-0519 Deposited 2025-07-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 29–392（364 aa）
Chain B 29–392（364 aa）
Chain C 29–392（364 aa）
Chain D 29–392（364 aa）
Chain L 29–392（364 aa）
Not recorded ZN ZINC ION × 2 A1EF9 2-methyl-~{N}-[4-[(2~{S})-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；300mM NaCl, 25mM HEPES, 1mM TCEP, 6mM MgCl2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å
9W39 Structure of human 26S proteasome complexed with midnolin, 19S proteasome with Ubl bound Deposited 2025-07-29 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 19 PDB declaration: 19-meric
Chain f 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 4 ZN ZINC ION × 1 MG MAGNESIUM ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.65 Å
9W4M ratTRPV1 bound with antagonist AMG517 Deposited 2025-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded A1D6R ~{N}-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide × 4 NA SODIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å
9W4T ratTRPV1 bound with antagonist AMG9810 Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Not recorded A1D6W (~{Z})-3-(4-~{tert}-butylphenyl)-~{N}-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide × 4 NA SODIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.87 Å
9W97 Structure of BPDBA-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1EVN 2,4-bis(chloranyl)-~{N}-[1-(phenylmethyl)piperidin-4-yl]benzamide × 1 CL CHLORIDE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.84 Å
9W98 Structure of ATPCA-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded A1EMK 2-azanyl-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.71 Å
9W99 Structure of betaine-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded BET TRIMETHYL GLYCINE × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.04 Å
9W9A Structure of GABA-bound state of the human betaine/GABA transporter 1 Deposited 2025-08-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded ABU GAMMA-AMINO-BUTANOIC ACID × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.98 Å
9W9B Structure of the apo state of human betaine/GABA transporter 1 in the inward-facing conformation Deposited 2025-08-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded CL CHLORIDE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.87 Å
9W9C Structure of the apo state of human betaine/GABA transporter 1 in the occluded conformation Deposited 2025-08-09 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.02 Å
9WBG Structure of human 26S proteasome complexed with midnolin, 19S proteasome with Ubl and Catch domain resolved Deposited 2025-08-14 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 20 PDB declaration: 20-meric
Chain f 27–392（366 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 4 ZN ZINC ION × 1 MG MAGNESIUM ION × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.23 Å
9WJH Spiroindoline-bound human VAChT Deposited 2025-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Not recorded A1EWS (6-bromanylpyridin-3-yl)-[1'-[(~{E})-3-(4-chlorophenyl)prop-2-enyl]-5-fluoranyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methanone × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9WJI Alkylsulfone-bound human VAChT Deposited 2025-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–391（363 aa）
Not recorded A1EWW 2-(3-ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.25
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9WY8 Cryo-EM structure of the hexameric DRT6 Deposited 2025-09-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 27–392（366 aa）
Chain B 27–392（366 aa）
Chain C 27–392（366 aa）
Chain D 27–392（366 aa）
Chain E 27–392（366 aa）
Chain F 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.69 Å
9XKO High-resolution cryo-EM structure of Maltose Binding Protein Deposited 2025-11-06 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 27–392（366 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.35 Å
9XQC A composite Cryo-EM structure of GPR75 Deposited 2025-11-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 26–99（74 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å

366 other PDB entries and 489 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MALE_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 4–369； UniProt 27–392 Author chain B； PDBConstruct 4–369； UniProt 27–392 Author chain C； PDBConstruct 4–369； UniProt 27–392

chimera of Maltose/maltodextrin-binding periplasmic protein and Peptidyl-prolyl cis-trans isomerase FKBP1A

Homo sapiens

UniProt P62942

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 1–32 Chain D； UniProt 33–108 Mutation：D-288A, K-287A, E-198A, N-197A, K-131A Serine/threonine-protein kinase mTOR × 1 （P42345） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278
2 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 1–32 Chain E； UniProt 33–108 Mutation：D-288A, K-287A, E-198A, N-197A, K-131A Serine/threonine-protein kinase mTOR × 1 （P42345） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278
3 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain C； UniProt 1–32 Chain F； UniProt 33–108 Mutation：D-288A, K-287A, E-198A, N-197A, K-131A Serine/threonine-protein kinase mTOR × 1 （P42345） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 6M4W Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1A7X FKBP12-FK1012 COMPLEX Deposited 1998-03-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Chain B 1–107（107 aa）
Not recorded FKA BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；A 10MG/ML SOLUTION OF FK1012A IN MEOH WAS ADDED IN A 1:2 MOLAR RATIO TO A 10MG/ML SOLUTION OF FKBP12 IN 10MM TRIS PH 8.2. THE SAMPLE WAS GENTLY MIXED AND ALLOWED TO INCUBATE OVERNIGHT TO ENSURE COMPLETE BINDING. CRYSTALS WERE GROWN USING THE HANGING DROP METHOD WITH 0.5ML RESERVOIR CONSISTING OF 5.1M SODIUM FORMATE AND 0.1M SODIUM ACETATE PH 4.6. THE DROPS CONSISTED OF 3UL OF PROTEIN AND 3UL OF RESERVOIR SOLUTION., vapor diffusion - hanging drop
Resolution 2.00 Å
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–107（107 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–107（107 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–107（107 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–107（107 aa）
Chain C 1–107（107 aa）
Chain E 1–107（107 aa）
Chain G 1–107（107 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.60 Å R-free 0.269
1BKF FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506 Deposited 1995-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Mutation：R42K, H87V FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å
1BL4 FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND Deposited 1998-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain not uniquely mapped Reference range not declared
Chain A 1–107（107 aa）
Mutation：F36V Mutation：F36V AP1 {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；VAPOR DIFFUSION IN HANGING DROPS WITH 40 MG/ML COMPLEX AND 1.2M AMMONIUM SULFATE, 0.1M SODIUM PHOSPHATE, PH 6.0 OVER RESERVOIRS OF 2.4 M AMMONIUM SULFATE, vapor diffusion - hanging drop
Resolution 1.90 Å R-free 0.230
1D6O NATIVE FKBP Deposited 1999-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO 100 MM TRIS (PH 8.0), EVAPORATION, temperature 297K
Resolution 1.85 Å R-free 0.237
1D6O NATIVE FKBP Deposited 1999-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO 100 MM TRIS (PH 8.0), EVAPORATION, temperature 297K
Resolution 1.85 Å R-free 0.237
1D6O NATIVE FKBP Deposited 1999-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO 100 MM TRIS (PH 8.0), EVAPORATION, temperature 297K
Resolution 1.85 Å R-free 0.237
1D6O NATIVE FKBP Deposited 1999-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO 100 MM TRIS (PH 8.0), EVAPORATION, temperature 297K
Resolution 1.85 Å R-free 0.237
1D7H FKBP COMPLEXED WITH DMSO Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.273
1D7H FKBP COMPLEXED WITH DMSO Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.273
1D7H FKBP COMPLEXED WITH DMSO Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.273
1D7H FKBP COMPLEXED WITH DMSO Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；56 % SAT. AMMONIUM SULFATE 5 % DMSO, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.273
1D7I FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 DSS METHYL METHYLSULFINYLMETHYL SULFIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % METHYL SULFINYL- METHYL SULFOXIDE, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.283
1D7I FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 DSS METHYL METHYLSULFINYLMETHYL SULFIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % METHYL SULFINYL- METHYL SULFOXIDE, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.283
1D7I FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 DSS METHYL METHYLSULFINYLMETHYL SULFIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % METHYL SULFINYL- METHYL SULFOXIDE, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.283
1D7I FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 DSS METHYL METHYLSULFINYLMETHYL SULFIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % METHYL SULFINYL- METHYL SULFOXIDE, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.90 Å R-free 0.283
1D7J FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 BUQ 4-HYDROXY-2-BUTANONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % 4-HYDROXY-2- BUTANONE 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.85 Å R-free 0.254
1D7J FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 BUQ 4-HYDROXY-2-BUTANONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % 4-HYDROXY-2- BUTANONE 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.85 Å R-free 0.254
1D7J FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 BUQ 4-HYDROXY-2-BUTANONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % 4-HYDROXY-2- BUTANONE 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.85 Å R-free 0.254
1D7J FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE Deposited 1999-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–107（107 aa）
Not recorded NH4 AMMONIUM ION × 2 SO4 SULFATE ION × 2 BUQ 4-HYDROXY-2-BUTANONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % 4-HYDROXY-2- BUTANONE 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 1.85 Å R-free 0.254
1EYM FK506 BINDING PROTEIN MUTANT, HOMODIMERIC COMPLEX Deposited 2000-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–108（107 aa）
Chain B 2–108（107 aa）
Mutation：YES Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；200 mM NaCl, 2mM EDTA, 5mM DTT, 0.02% NaN3, concentrate to ~0.75 mg/ml, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 4K
Resolution 2.00 Å R-free 0.290
1F40 SOLUTION STRUCTURE OF FKBP12 COMPLEXED WITH GPI-1046, A NEUROTROPHIC LIGAND Deposited 2000-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded GPI (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE × 1 SOLUTION NMR
NMR measurement conditions pH 6.5；300 K；Ionic strength (raw mmCIF value) 100mM；Pressure ambient
NMR sample composition 0.5 mM FKBP12 U-15N; 100 mM phosphate buffer; 0.01% NaN3 | 90% H2O/10% D2O
NMR sample composition 0.5 mM FKBP12 U-15N; 1mM GPI-1046; 100 mM phosphate buffer; 0.01% NaN3 | 90% H2O/10% D2O
NMR sample composition 2mM FKBP12 U-15N,13C; 2mM GPI-1046; 100 mM phosphate buffer; 0.01% NaN3 | 90% H2O/10% D2O
Resolution not provided
1FAP THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP Deposited 1996-03-15 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.70 Å R-free 0.299
1FKB ATOMIC STRUCTURE OF THE RAPAMYCIN HUMAN IMMUNOPHILIN FKBP-12 COMPLEX Deposited 1992-07-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å
1FKD FK-506 BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818 Deposited 1992-12-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded 818 18-HYDROXYASCOMYCIN × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.72 Å
1FKD FK-506 BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818 Deposited 1992-12-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–107（107 aa）
Not recorded 818 18-HYDROXYASCOMYCIN × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.72 Å
1FKF ATOMIC STRUCTURE OF FKBP-FK506, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX Deposited 1991-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å
1FKG DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12 Deposited 1993-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded SB3 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1FKH DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12 Deposited 1993-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded SBX 1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å
1FKI DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12 Deposited 1993-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Chain B 1–107（107 aa）
Not recorded SB1 (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1FKJ ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX Deposited 1995-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å
1FKJ ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX Deposited 1995-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–107（107 aa）
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å
1FKR SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN Deposited 1992-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1FKS SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN Deposited 1992-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1FKT SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN Deposited 1992-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1J4H crystal structure analysis of the FKBP12 complexed with 000107 small molecule Deposited 2001-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded SUB 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；PEG10000, HEPES, pH 6.5, EVAPORATION, temperature 291K
Resolution 1.80 Å R-free 0.250
1J4I crystal structure analysis of the FKBP12 complexed with 000308 small molecule Deposited 2001-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded TST 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；291 K；PEG10000, HEPES, pH 6.5, EVAPORATION, temperature 291K
Resolution 1.80 Å R-free 0.209
1J4R FK506 BINDING PROTEIN COMPLEXED WITH FKB-001 Deposited 2001-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–107（107 aa）
Not recorded 001 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；2.5 M AMMONIUM SULFATE, 0.1 M HEPES, PH 7.5, CRYOPROTECTANT 20% (V/V) GLYCEROL
Resolution 1.80 Å R-free 0.249
1J4R FK506 BINDING PROTEIN COMPLEXED WITH FKB-001 Deposited 2001-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–107（107 aa）
Not recorded 001 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；2.5 M AMMONIUM SULFATE, 0.1 M HEPES, PH 7.5, CRYOPROTECTANT 20% (V/V) GLYCEROL
Resolution 1.80 Å R-free 0.249
1J4R FK506 BINDING PROTEIN COMPLEXED WITH FKB-001 Deposited 2001-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–107（107 aa）
Not recorded 001 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；2.5 M AMMONIUM SULFATE, 0.1 M HEPES, PH 7.5, CRYOPROTECTANT 20% (V/V) GLYCEROL
Resolution 1.80 Å R-free 0.249
1NSG THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP Deposited 1997-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded RAD C49-METHYL RAPAMYCIN × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.265
1QPF FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858 Deposited 1999-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Chain D 1–107（107 aa）
Not recorded 858 C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN × 2 B7G heptyl beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；AMMOMIUM SULFATE, BETA-HEPTYL- D-GLUCOPYRANOSIDE, POTASSIUM PHOSPHATE, pH 5.6
Resolution 2.50 Å R-free 0.310
1QPF FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858 Deposited 1999-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–107（107 aa）
Chain D 1–107（107 aa）
Not recorded 858 C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN × 4 B7G heptyl beta-D-glucopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；AMMOMIUM SULFATE, BETA-HEPTYL- D-GLUCOPYRANOSIDE, POTASSIUM PHOSPHATE, pH 5.6
Resolution 2.50 Å R-free 0.310
1QPF FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858 Deposited 1999-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded 858 C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN × 2 B7G heptyl beta-D-glucopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；AMMOMIUM SULFATE, BETA-HEPTYL- D-GLUCOPYRANOSIDE, POTASSIUM PHOSPHATE, pH 5.6
Resolution 2.50 Å R-free 0.310
1QPF FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858 Deposited 1999-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 1–107（107 aa）
Not recorded 858 C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；AMMOMIUM SULFATE, BETA-HEPTYL- D-GLUCOPYRANOSIDE, POTASSIUM PHOSPHATE, pH 5.6
Resolution 2.50 Å R-free 0.310
1QPL FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-707,587 Deposited 1999-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Chain C 1–107（107 aa）
Not recorded 587 C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.1；AMMONIUM SULFATE, POTASSIUM PHOSPHATE, pH 6.1
Resolution 2.90 Å R-free 0.342
1TCO TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS) Deposited 1996-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–107（107 aa）
Not recorded ZN ZINC ION × 1 FE FE (III) ION × 1 PO4 PHOSPHATE ION × 1 CA CALCIUM ION × 4 MYR MYRISTIC ACID × 1 FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.282
21KR A Wnt3a/Fzd8-CRD/LRP6-E3E4 complex with FKBP Deposited 2025-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 9 PDB declaration: nonameric
Chain C 2–108（107 aa）
Chain D 2–108（107 aa）
Chain G 2–108（107 aa）
Chain H 2–108（107 aa）
Chain I 2–108（107 aa）
Mutation：C178S Mutation：C178S Mutation：C178S Mutation：C178S Mutation：C178S No recorded non-water small molecule ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions Resolution 2.90 Å
21KS A Wnt3a/Fzd8-CRD/LRP6-E3E4-LA complex with FKBP Deposited 2025-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 9 PDB declaration: nonameric
Chain C 2–108（107 aa）
Chain D 2–108（107 aa）
Chain G 2–108（107 aa）
Chain H 2–108（107 aa）
Chain I 2–108（107 aa）
Mutation：C178S Mutation：C178S Mutation：C178S Mutation：C178S Mutation：C178S No recorded non-water small molecule ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions Resolution 3.01 Å
21KT Wnt3a signalosome extracellular complex Deposited 2025-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric
Chain C 2–108（107 aa）
Chain D 2–108（107 aa）
Chain G 2–108（107 aa）
Chain H 2–108（107 aa）
Mutation：Q159A,E161A,C178S,Q221A Mutation：Q159A,E161A,C178S,Q221A Mutation：Q159A,E161A,C178S,Q221A Mutation：Q159A,E161A,C178S,Q221A No recorded non-water small molecule ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions Resolution 3.33 Å
2DG3 Wildtype FK506-binding protein complexed with Rapamycin Deposited 2006-03-08 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；30% PEG MME 2000, 0.2M Ammonium sulphate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.228
2DG4 FK506-binding protein mutant WF59 complexed with Rapamycin Deposited 2006-03-08 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；298 K；30% PEG MME 2000, 0.2M Ammonium Sulphate, pH 4.6, VAPOR DIFFUSION, temperature 298K
Resolution 1.70 Å R-free 0.213
2DG9 FK506-binding protein mutant WL59 complexed with Rapamycin Deposited 2006-03-09 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：W59L RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；30% PEG MME 2000, 0.2M Ammonium Sulphate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.239
2FAP THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-(C16)-ETHOXY RAPAMYCIN COMPLEX INTERACTING WITH HUMA Deposited 1998-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded RAD C49-METHYL RAPAMYCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.20 Å R-free 0.266
2FKE FK-506-BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818 Deposited 1993-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.72 Å
2FKE FK-506-BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818 Deposited 1993-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–107（107 aa）
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.72 Å
2ND5 Lysine dimethylated FKBP12 Deposited 2016-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；303 K
NMR sample composition 1.2 mM [U-99% 13C; U-99% 15N] entity-1, 30 mM sodium chloride-2, 3 mM DTT-3, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
2PPN Crystal structure of FKBP12 Deposited 2007-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa） Fragment：fkbp12
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.9-2.1 M Sodium Maleonate 50 mM DMSO Slow buffer exchange into 2.5 M Sodium Maleoneate no DMSO, in 10 minute steps for freezing, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 0.92 Å R-free 0.199
2PPO Crystal structure of E60A mutant of FKBP12 Deposited 2007-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：E61A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.9-2.1 M Sodium Maleonate, 50 mM DMSO, Slow buffer exchange into 2.5 M Sodium Maleoneate no DMSO, in 10 minute steps for freezing, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.29 Å R-free 0.182
2PPP Crystal structure of E60Q mutant of FKBP12 Deposited 2007-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：E61Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.9-2.1 M Sodium Maleonate, 50 mM DMSO, Slow buffer exchange into 2.5 M Sodium Maleoneate no DMSO, in 10 minute steps for freezing, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 0.94 Å R-free 0.220
2RSE NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS Deposited 2012-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–108（107 aa）
Not recorded TB TERBIUM(III) ION × 2 SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 0.15；Pressure ambient
NMR sample composition 0.3 mM FKBP12-1, 0.3 mM [U-98% 15N] FRB-2, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
3FAP ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP Deposited 1999-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded ARD C15-(R)-METHYLTHIENYL RAPAMYCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；20% PEG8000, 10% MPD, 0.1 M TRIS-HCL PH 8.5, pH 8.00
Resolution 1.85 Å R-free 0.273
3H9R Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin Deposited 2009-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa） Fragment：FKBP12
Not recorded TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine × 1 SO4 SULFATE ION × 5 PG4 TETRAETHYLENE GLYCOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；30% PEG 3350; 0.25M Ammonium sulphate; 0.1M Bis-Tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.35 Å R-free 0.256
3MDY Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189 Deposited 2010-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa） Fragment：FKBP12
Not recorded LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277.15 K；20% PEG 3350, 0.2M Na Malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.255
3MDY Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189 Deposited 2010-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–108（108 aa） Fragment：FKBP12
Not recorded LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277.15 K；20% PEG 3350, 0.2M Na Malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.255
4DH0 X-ray Crystal Structure of 28-O-Methylrapamycin complexed with FKBP12: Is the Cyclohexyl Moiety Part of the Effector Domain of Rapamycin? Deposited 2012-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded MR8 28-O-Methylrapamycin × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；298 K；35% ammonium sulphate, 0.1M Na/K phosphate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.257
4FAP ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP Deposited 1999-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–107（107 aa）
Not recorded ARD C15-(R)-METHYLTHIENYL RAPAMYCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；20% PEG8000, 10% MPD, 0.1 M TRIS-HCL PH 8.5, pH 8.0
Resolution 2.80 Å R-free 0.266
4IPX Analyzing the visible conformational substates of the FK506 binding protein FKBP12 Deposited 2013-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C22V, H87V MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1.7 M sodium malonate, pH 7.0, 0.1 M HEPES, pH 7.4, 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.217
4N19 Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12 Deposited 2013-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C22V, G89P SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.20 Å R-free 0.180
4ODP Structure of SlyD delta-IF from Thermus thermophilus in complex with S2-W23A peptide Deposited 2014-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 85–97（13 aa） Fragment：SEE REMARK 999
Not recorded CL CHLORIDE ION × 1 CA CALCIUM ION × 4 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；28% PEG400, 0.1 M HEPES, pH 7.5, 0.2 M calcium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.75 Å R-free 0.202
4ODQ Structure of SlyD delta-IF from Thermus thermophilus in complex with S3 peptide Deposited 2014-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 85–97（13 aa） Fragment：SEE REMARK 999
Not recorded CL CHLORIDE ION × 1 CA CALCIUM ION × 4 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% PEG6000, 0.1 M Tris-HCl, pH 8.0, 0.2 M calcium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.213
4ODR Structure of SlyD delta-IF from Thermus thermophilus in complex with FK506 Deposited 2014-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 85–97（13 aa） Fragment：SEE REMARK 999
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 1 GOL GLYCEROL × 4 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；20% PEG6000, 0.1 M sodium acetate, pH 5.0, 0.2 M zinc chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.93 Å R-free 0.170
4ODR Structure of SlyD delta-IF from Thermus thermophilus in complex with FK506 Deposited 2014-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 85–97（13 aa） Fragment：SEE REMARK 999
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；20% PEG6000, 0.1 M sodium acetate, pH 5.0, 0.2 M zinc chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.93 Å R-free 0.170
5I7P Crystal structure of Fkbp12-IF(SlyD), a chimeric protein of human Fkbp12 and the insert in flap domain of Ecoli SlyD Deposited 2016-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–84（83 aa）
Chain A 98–108（11 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20 % PEG3350, 0.1 M MgCl2, 0.1 M Hepes pH 7.5
Resolution 2.00 Å R-free 0.248
5I7Q Crystal structure of Fkbp12-IF(SlpA), a chimeric protein of human Fkbp12 and the insert in flap domain of Ecoli SlpA Deposited 2016-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–84（83 aa）
Chain A 97–108（12 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25 % PEG1500, 10 % isopropanol, 0.1 M CaCl2, 0.1 M Mes pH 6.5
Resolution 1.90 Å R-free 0.238
6I1S Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201 Deposited 2018-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa）
Not recorded E26 (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione × 1 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.05M ammonium sulfate, 30% pentaerythritol ethoxylate 15/4, 0.1M bis-tris pH 6.5
Resolution 1.52 Å R-free 0.193
6M4U Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin Deposited 2020-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–108（108 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 ZN ZINC ION × 8 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM cacodylic acid buffer (pH 6.5), 350 mM zinc acetate and 8% (w/v) isopropanol
Resolution 2.20 Å R-free 0.258
6M4U Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin Deposited 2020-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–108（108 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 ZN ZINC ION × 6 CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM cacodylic acid buffer (pH 6.5), 350 mM zinc acetate and 8% (w/v) isopropanol
Resolution 2.20 Å R-free 0.258
6M4V Crystal structure of MBP fused split FKBP in complex with rapamycin Deposited 2020-03-09 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–32（32 aa）
Chain B 33–108（76 aa）
Mutation：K-131A, N-197A, E-198A, K-287A, D-288A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Na-HEPES buffer (pH 7.5), 20% (w/v) PEG 8000
Resolution 2.92 Å R-free 0.298
6M4V Crystal structure of MBP fused split FKBP in complex with rapamycin Deposited 2020-03-09 Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–32（32 aa）
Chain D 33–108（76 aa）
Mutation：K-131A, N-197A, E-198A, K-287A, D-288A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Na-HEPES buffer (pH 7.5), 20% (w/v) PEG 8000
Resolution 2.92 Å R-free 0.298
6OQA Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product Deposited 2019-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–108（108 aa）
Chain B 1–108（108 aa）
Not recorded 60Z (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione × 2 EDO 1,2-ETHANEDIOL × 13 PEG DI(HYDROXYETHYL)ETHER × 7 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 2 PGE TRIETHYLENE GLYCOL × 3 PG4 TETRAETHYLENE GLYCOL × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES, pH 7.0, 0.2 M sodium malonate, 21% PEG3350
Resolution 2.20 Å R-free 0.256
6OQA Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product Deposited 2019-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–108（108 aa）
Chain F 1–108（108 aa）
Not recorded 60Z (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione × 2 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 3 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 MLA MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES, pH 7.0, 0.2 M sodium malonate, 21% PEG3350
Resolution 2.20 Å R-free 0.256
6VCU Homo sapiens FKBP12 protein bound with APX879 in P32 space group Deposited 2019-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded ACT ACETATE ION × 2 R27 N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；2.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate
Resolution 1.69 Å R-free 0.196
6VCU Homo sapiens FKBP12 protein bound with APX879 in P32 space group Deposited 2019-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded ACT ACETATE ION × 2 R27 N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；2.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate
Resolution 1.69 Å R-free 0.196
6VCU Homo sapiens FKBP12 protein bound with APX879 in P32 space group Deposited 2019-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–108（108 aa）
Not recorded R27 N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；2.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate
Resolution 1.69 Å R-free 0.196
6VCU Homo sapiens FKBP12 protein bound with APX879 in P32 space group Deposited 2019-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–108（108 aa）
Not recorded ACT ACETATE ION × 1 R27 N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；2.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate
Resolution 1.69 Å R-free 0.196
6YF0 FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution Deposited 2020-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded 818 18-HYDROXYASCOMYCIN × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；2.2 M AmSO4, 0.2 M NaThiocyanate
Resolution 1.55 Å R-free 0.257
6YF1 FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution Deposited 2020-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded OP8 (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；2.2 M AmSO4, 0.2 M CdCl2
Resolution 1.12 Å R-free 0.163
6YF2 FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution Deposited 2020-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded OP5 (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone × 1 CD CADMIUM ION × 1 CL CHLORIDE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.9 M AmSO4, 0.15 M CdCl2
Resolution 1.03 Å R-free 0.149
6YF3 FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution Deposited 2020-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded OOZ (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone × 1 CD CADMIUM ION × 1 CL CHLORIDE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；2.2 M AmSO4, 0.2 M CdCl2
Resolution 1.00 Å R-free 0.158
7U8D FKBP12 mutant V55G bound to Rapa*-3Z Deposited 2022-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：V55G LWR (3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；sodium tartrate, PEG 3350
Resolution 1.39 Å R-free 0.172
7U8D FKBP12 mutant V55G bound to Rapa*-3Z Deposited 2022-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–108（107 aa）
Mutation：V55G LWR (3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；sodium tartrate, PEG 3350
Resolution 1.39 Å R-free 0.172
8CHI Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C22V UMR (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.4M Na/K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.70 Å R-free 0.214
8CHI Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–108（107 aa）
Mutation：C22V UMR (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.4M Na/K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.70 Å R-free 0.214
8CHJ Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C22V UQI (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.32M Na-K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.70 Å R-free 0.205
8CHJ Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–108（107 aa）
Mutation：C22V UQI (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.32M Na-K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.70 Å R-free 0.205
8CHJ Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–108（107 aa）
Mutation：C22V UQI (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.32M Na-K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.70 Å R-free 0.205
8CHJ Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 2–108（107 aa）
Mutation：C22V UQI (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.32M Na-K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.70 Å R-free 0.205
8CHK Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C22V UUI (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.32M Na-K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.55 Å R-free 0.233
8CHK Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–108（107 aa）
Mutation：C22V UUI (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.32M Na-K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.55 Å R-free 0.233
8CHK Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–108（107 aa）
Mutation：C22V UUI (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.32M Na-K tartrate, 0.2 M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.55 Å R-free 0.233
8CHL Human FKBP12 in complex with (1S,5S,6R)-9-((3,5-dichlorophenyl)sulfonyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,9-diazabicyclo[4.2.1]nonan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C22V USV (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 3 CD CADMIUM ION × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M ammonium sulfate, 0.2 M cadmium sulfate
Resolution 1.40 Å R-free 0.213
8CHL Human FKBP12 in complex with (1S,5S,6R)-9-((3,5-dichlorophenyl)sulfonyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,9-diazabicyclo[4.2.1]nonan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–108（107 aa）
Mutation：C22V USV (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 GOL GLYCEROL × 1 CD CADMIUM ION × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M ammonium sulfate, 0.2 M cadmium sulfate
Resolution 1.40 Å R-free 0.213
8CHM Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Deposited 2023-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C22V UT6 (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 DMS DIMETHYL SULFOXIDE × 1 CD CADMIUM ION × 2 CL CHLORIDE ION × 6 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.1 M ammonium sulfate, 0.2 M cadmium chloride, 0.1M HEPES-NaOH pH 7.5
Resolution 1.12 Å R-free 0.145
8ER6 FKBP12-FRB in Complex with Compound 11 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–108（107 aa）
Not recorded XYU (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.0-3.3 M sodium formate and 0.1 M HEPES pH 7.0-7.5
Resolution 2.81 Å R-free 0.224
8ER6 FKBP12-FRB in Complex with Compound 11 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–108（107 aa）
Not recorded XYU (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.0-3.3 M sodium formate and 0.1 M HEPES pH 7.0-7.5
Resolution 2.81 Å R-free 0.224
8ER6 FKBP12-FRB in Complex with Compound 11 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2–108（107 aa）
Not recorded XYU (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.0-3.3 M sodium formate and 0.1 M HEPES pH 7.0-7.5
Resolution 2.81 Å R-free 0.224
8ER7 FKBP12-FRB in Complex with Compound 12 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–108（107 aa）
Not recorded XZ3 (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.0-3.3 M sodium formate and 0.1 M HEPES pH 7.0-7.5
Resolution 3.07 Å R-free 0.279
8ER7 FKBP12-FRB in Complex with Compound 12 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–108（107 aa）
Not recorded XZ3 (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.0-3.3 M sodium formate and 0.1 M HEPES pH 7.0-7.5
Resolution 3.07 Å R-free 0.279
8ER7 FKBP12-FRB in Complex with Compound 12 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2–108（107 aa）
Not recorded XZ3 (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.0-3.3 M sodium formate and 0.1 M HEPES pH 7.0-7.5
Resolution 3.07 Å R-free 0.279
8ERA RMC-5552 in complex with mTORC1 and FKBP12 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 2–108（107 aa）
Not recorded XZ9 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one × 1 XYU (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.86 Å
8JCU Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of LY341495 (dimerization mode I) Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded Z99 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8JCV Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of LY341495 (dimerization mode II) Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 18–108（91 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 Z99 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
8JCW Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of LY341495 and NAM563 (dimerization mode I) Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 Z99 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine × 2 CLR CHOLESTEROL × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8JCX Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of LY341495 and NAM563 (dimerization mode II) Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 Z99 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8JCY Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of LY341495, NAM563, and LY2389575 (dimerization mode I) Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 Z99 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine × 2 CLR CHOLESTEROL × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.90 Å
8JCZ Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of LY341495, NAM563, and LY2389575 (dimerization mode III) Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 Z99 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8JD0 Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of NAM563 Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 J9R 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide × 1 CLR CHOLESTEROL × 9 GLU GLUTAMIC ACID × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
8JD1 Cryo-EM structure of mGlu2-mGlu3 heterodimer in Rco state Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded GLU GLUTAMIC ACID × 2 CLR CHOLESTEROL × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
8JD2 Cryo-EM structure of G protein-free mGlu2-mGlu3 heterodimer in Acc state Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded GLU GLUTAMIC ACID × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8JD4 Cryo-EM structure of G protein-free mGlu2-mGlu4 heterodimer in Acc state Deposited 2023-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain 2 2–108（107 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GLU GLUTAMIC ACID × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.90 Å
8JGA Cryo-EM structure of Mi3 fused with FKBP Deposited 2023-05-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.68 Å
8PDF FKBP12 in complex with PROTAC 6a2 Deposited 2023-06-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–108（107 aa）
Mutation：C23V Y5Q (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.36 Na/K tartrate, 0.2M ammonium citrate, 0.1M MES pH 6.5
Resolution 1.20 Å R-free 0.176
8POD Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 Deposited 2023-07-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa）
Not recorded 7IO 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine × 1 F FLUORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG3350, 10% ethylene glycol, 0.1M bis-tris-propane pH 7.5, 0.2M sodium fluoride
Resolution 2.59 Å R-free 0.255
8PPZ Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR Deposited 2023-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–108（107 aa）
Mutation：C22V 0AN (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 CA CALCIUM ION × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；10% PEG8000, 0.1 M HEPES pH 7.5, 0.2 M calcium actetate
Resolution 1.85 Å R-free 0.238
8X6P Isomerase Protein Deposited 2023-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–108（108 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；300 K；NaCl, Ammonium Sulfate, TRIS
Resolution 1.05 Å R-free 0.224
8X6P Isomerase Protein Deposited 2023-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；300 K；NaCl, Ammonium Sulfate, TRIS
Resolution 1.05 Å R-free 0.224
8XI9 Crystal structure of FRB-FKBP fusion protein in complex with rapamycin Deposited 2023-12-19 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；4.4M Sodium Acetate
Resolution 1.85 Å R-free 0.218
9CHU Cryo-EM structure of calcineurin fused beta2 adrenergic receptor in norepinephrine bound inactive state Deposited 2024-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–108（108 aa）
Not recorded E5E Noradrenaline × 1 FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.49 Å
9CHV cryo-EM structure of calcineurin-fused beta2 adrenergic receptor in apo state Deposited 2024-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–108（108 aa）
Not recorded FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.95 Å
9CHX cryo-EM structure of calcineurin-fused beta2 adrenergic receptor in carazolol bound inactive state Deposited 2024-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–108（108 aa）
Not recorded CAU (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol × 1 FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
9CO5 Crystal Structure of Macrocycle mediated complex of FKBP12 and MAPRE1 Deposited 2024-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–108（108 aa）
Not recorded A1AZI (5S,14R,16aS,21R,28S,30aR)-14-[2-(3,4-dimethoxyphenyl)ethyl]-24,24,28-trimethyl-2-methylidene-1,3,4,17,18,19,20,24,25,28,29,30a-dodecahydro-2H,14H-9,13-(metheno)dipyrido[1,2-d:1',2'-o][1,10,18,4,7,15]trioxatriazacyclotetracosine-6,16,22,23,27,30(7H,16aH)-hexone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；1.5 M LiSO4, 0.1 M CH3COONa pH 4.6
Resolution 2.77 Å R-free 0.225
9DCW FKBP1a (FKBP12) co-crystal structure with macrocycle molecular glue Deposited 2024-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded A1AZI (5S,14R,16aS,21R,28S,30aR)-14-[2-(3,4-dimethoxyphenyl)ethyl]-24,24,28-trimethyl-2-methylidene-1,3,4,17,18,19,20,24,25,28,29,30a-dodecahydro-2H,14H-9,13-(metheno)dipyrido[1,2-d:1',2'-o][1,10,18,4,7,15]trioxatriazacyclotetracosine-6,16,22,23,27,30(7H,16aH)-hexone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；0.1 M CHES, 30% PEG3K (pH 9.5)
Resolution 1.72 Å R-free 0.252
9DTW Co-crystal structure of the ternary complex of human FKBP12, QDPR and Compound 4 Deposited 2024-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa）
Not recorded GOL GLYCEROL × 1 CL CHLORIDE ION × 1 A1BB9 (2S)-N-[(2R)-1-({[(1R)-6-(4-[(4S)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl]-6-{[(1S)-3-methyl-1-(1H-1,2,4-triazol-3-yl)butyl]amino}-1,3,5-triazin-2-yl)-6-azaspiro[2.5]octan-1-yl]methyl}amino)-4-(4-methoxyphenyl)-1-oxobutan-2-yl]-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1 M TRIS-HCL PH 7, 0.2 M CALCIUM ACETATE HYDRATE, 20 % (W/V) PEG 3000 (MCSG SCREEN 1, CONDITION C11); 1:1:1 FKBP12:QDPR:MOTHER LIQUOR PLUS EQUIMOLAR COMPOUND IN 200-NL DROP. COMPLEX CONCENTRATED TO 10 MG/ML
Resolution 1.39 Å R-free 0.214
9DU1 Co-crystal structure of the ternary complex of human FKBP12, BRD9 bromo domain and Compound 1 Deposited 2024-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–108（108 aa）
Chain B 1–108（108 aa）
Chain C 1–108（108 aa）
Chain D 1–108（108 aa）
Not recorded A1BB8 4-[4-{cyclopropyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}-6-({1-[(2R)-2-{[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]amino}-4-(4-methoxyphenyl)butanoyl]piperidin-4-yl}amino)-1,3,5-triazin-2-yl]-N-ethylpiperazine-1-carboxamide × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1 M HEPES PH 7.5, 20% PEG 8000 (MCSG SCREEN 1, CONDITION A1); 1:1:1 FKBP12:BRD9:MOTHER LIQUOR PLUS EQUIMOLAR COMPOUND IN 200-NL DROP. COMPLEX CONCENTRATED TO 10 MG/ML
Resolution 2.01 Å R-free 0.259
9LYG Crystal structure of FKBP12 complexed with Small Molecule Anchor for Protein-201 Deposited 2025-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded A1L7S 5-[(2~{S})-1-cyclohexylsulfonylpiperidin-2-yl]-3-[3-(3,4-dimethoxyphenyl)propyl]-1,2,4-oxadiazole × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1 M Tris-HCl (pH8.0), 3.0 M Ammonium sulfate
Resolution 1.26 Å R-free 0.188
9QW8 FKBP12 in complex with bifunctional ligand 1ad and the first bromodomain of BRD4 Deposited 2025-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–108（107 aa）
Mutation：C22V A1JAZ ~{N}-[2-[2-[4-[[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]methoxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl]-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；22% PEG3350, 0.2 M NaCl, 0.1 M Tris-HCl pH 8.5
Resolution 1.80 Å R-free 0.243
9QW8 FKBP12 in complex with bifunctional ligand 1ad and the first bromodomain of BRD4 Deposited 2025-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2–108（107 aa）
Mutation：C22V A1JAZ ~{N}-[2-[2-[4-[[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]methoxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl]-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；22% PEG3350, 0.2 M NaCl, 0.1 M Tris-HCl pH 8.5
Resolution 1.80 Å R-free 0.243
9R5N FKBP12 in complex with binfunctional ligand b3c and the first bromodomain of BRD4 Deposited 2025-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2–108（107 aa）
Mutation：C23V A1JCU ~{tert}-butyl 2-[(9~{S})-7-[4-[3-[2-[2-[4-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]-1,2,3-triazol-1-yl]ethoxy]ethanoylamino]prop-1-ynyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 0.2M ammonium thiocyanate, 0.1 M Tris-HCl pH 8.8
Resolution 3.00 Å R-free 0.312
9R5N FKBP12 in complex with binfunctional ligand b3c and the first bromodomain of BRD4 Deposited 2025-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–108（107 aa）
Mutation：C23V A1JCU ~{tert}-butyl 2-[(9~{S})-7-[4-[3-[2-[2-[4-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]-1,2,3-triazol-1-yl]ethoxy]ethanoylamino]prop-1-ynyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 0.2M ammonium thiocyanate, 0.1 M Tris-HCl pH 8.8
Resolution 3.00 Å R-free 0.312
9RDA Cocrystal structure of Zilurgisertib bound to the ALK2-FKBP12 complex Deposited 2025-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2–108（107 aa）
Not recorded A1JFB Zilurgisertib × 1 EDO 1,2-ETHANEDIOL × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein: reservoir 2:1 Crystallization Reservoir Solution = 0.24M Ammonium Sulphate, 0.1M Hepes pH 7.0, 28% PEG3350 Crystallization Protein Solution = Alk2-FKBP12 at 7.0 mg/ml in 50 mM Tris, 150 mM NaCl, 2 mM TCEP, pH 7.0 concentrated in the presence of 2.5 mM AMPPNP and 20 mM MgCl2 cryo condition: 10% ethyleneglycol for 2 min
Resolution 1.75 Å R-free 0.224
9W8H Isomerase Structure at 140K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.275
9W8H Isomerase Structure at 140K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.275
9W8I Isomerase at 160K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.280
9W8I Isomerase at 160K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.280
9W8K Isomerase at 180K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.279
9W8K Isomerase at 180K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.279
9W8L Isomerase at 200K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.311
9W8L Isomerase at 200K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.311
9W8M Isomerase at 240K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.270
9W8M Isomerase at 240K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.270
9W8N Isomerase at 290K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.262
9W8N Isomerase at 290K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.262
9W8O Isomerase at 285K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.261
9W8O Isomerase at 285K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.261
9W8P Isomerase at 260K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.246
9W8P Isomerase at 260K Deposited 2025-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.246
9WH0 Isomerase at 100K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Ammonium Sulfate, Sodium Chloride, TRIS
Resolution 2.00 Å R-free 0.240
9WH0 Isomerase at 100K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Ammonium Sulfate, Sodium Chloride, TRIS
Resolution 2.00 Å R-free 0.240
9WH2 Isomerase Structure at 280K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.234
9WH2 Isomerase Structure at 280K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；NaCl, Ammonium Sulfate, TRIS
Resolution 2.00 Å R-free 0.234
9WH5 Isomerase at 120K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Ammonium Sulfate, Sodium Chloride, TRIS
Resolution 2.00 Å R-free 0.252
9WH5 Isomerase at 120K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Ammonium Sulfate, Sodium Chloride, TRIS
Resolution 2.00 Å R-free 0.252
9WH6 Isomerase at 300K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Ammonium Sulfate, Sodium Chloride, TRIS
Resolution 2.00 Å R-free 0.282
9WH6 Isomerase at 300K Deposited 2025-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Ammonium Sulfate, Sodium Chloride, TRIS
Resolution 2.00 Å R-free 0.282

110 other PDB entries and 169 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FKB1A_HUMAN
Isoform —
PDB entities 1, 2
Chains and sequence ranges Author chain A； PDBConstruct 374–405； UniProt 1–32 Author chain B； PDBConstruct 374–405； UniProt 1–32 Author chain C； PDBConstruct 374–405； UniProt 1–32 Author chain D； PDBConstruct 1–76； UniProt 33–108 Author chain E； PDBConstruct 1–76； UniProt 33–108 Author chain F； PDBConstruct 1–76； UniProt 33–108

Serine/threonine-protein kinase mTOR

Homo sapiens

UniProt P42345

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain G； UniProt 2021–2113 Mutation：T2098L chimera of Maltose/maltodextrin-binding periplasmic protein and Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P0AEX9,P62942） Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P62942） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278
2 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain H； UniProt 2021–2113 Mutation：T2098L chimera of Maltose/maltodextrin-binding periplasmic protein and Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P0AEX9,P62942） Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P62942） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278
3 Insufficient information Heteromer Protein × 3 其他Polymer 1 PDB declaration: trimeric（3） Consistent with protein copy count Chain I； UniProt 2021–2113 Mutation：T2098L chimera of Maltose/maltodextrin-binding periplasmic protein and Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P0AEX9,P62942） Peptidyl-prolyl cis-trans isomerase FKBP1A × 1 （P62942） alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose × 1 RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000 Resolution 3.11 Å R-free 0.278

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 6M4W Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AUE FKBP-RAPAMYCIN BINDING DOMAIN (FRB) OF THE FKBP-RAPAMYCIN ASSOCIATED PROTEIN Deposited 1997-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2015–2114（100 aa） Fragment：FKBP-RAPAMYCIN BINDING DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；HANGING DROPS AT 4 C, pH 8.0, vapor diffusion - hanging drop, temperature 277K
Resolution 2.33 Å R-free 0.339
1AUE FKBP-RAPAMYCIN BINDING DOMAIN (FRB) OF THE FKBP-RAPAMYCIN ASSOCIATED PROTEIN Deposited 1997-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2015–2114（100 aa） Fragment：FKBP-RAPAMYCIN BINDING DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；HANGING DROPS AT 4 C, pH 8.0, vapor diffusion - hanging drop, temperature 277K
Resolution 2.33 Å R-free 0.339
1FAP THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP Deposited 1996-03-15 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2018–2112（95 aa） Fragment：FRB
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.70 Å R-free 0.299
1NSG THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP Deposited 1997-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2019–2112（94 aa）
Not recorded RAD C49-METHYL RAPAMYCIN × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.265
2FAP THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-(C16)-ETHOXY RAPAMYCIN COMPLEX INTERACTING WITH HUMA Deposited 1998-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2019–2112（94 aa） Fragment：FRB
Not recorded RAD C49-METHYL RAPAMYCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.20 Å R-free 0.266
2GAQ NMR SOLUTION STRUCTURE OF THE FRB DOMAIN OF mTOR Deposited 2006-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2015–2114（100 aa） Fragment：FRB DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；283 K；Ionic strength (raw mmCIF value) 20 mM PBS 1 mM DTT；Pressure ambient
NMR sample composition 0.5 mM FRB U-15N | PBS 10% D2O 90% H2O
NMR sample composition 0.5 mM FRB U-15N | PBS 100%D2O
NMR sample composition 0.6 mM FRB U-15N, U-13C | PBS 10% D2O 90% H2O
Resolution not provided
2NPU The solution structure of the rapamycin-binding domain of mTOR (FRB) Deposited 2006-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2015–2114（100 aa） Fragment：FRB
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100mM；Pressure ambient
NMR sample composition 0.1 mM FRB domain U-15N,13C; '25mM phosphate buffer; 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition 0.1 mM FRB domain U-15N; 25mM phosphate buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition 0.1 mM FRB domain U-15N,13C with unlabelled aromatics; 25mM phosphate buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
2RSE NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS Deposited 2012-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2019–2112（94 aa） Fragment：UNP RESIDUES 2019-2112
Not recorded TB TERBIUM(III) ION × 2 SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 0.15；Pressure ambient
NMR sample composition 0.3 mM FKBP12-1, 0.3 mM [U-98% 15N] FRB-2, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
3FAP ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP Deposited 1999-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2019–2112（94 aa） Fragment：FRB
Not recorded ARD C15-(R)-METHYLTHIENYL RAPAMYCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；20% PEG8000, 10% MPD, 0.1 M TRIS-HCL PH 8.5, pH 8.00
Resolution 1.85 Å R-free 0.273
3JBZ Crystal structure of mTOR docked into EM map of dimeric ATM kinase Deposited 2015-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1385–2549（1165 aa） Fragment：C-terminal domain (UNP RESIDUES 1385-2020, 2119-2549)
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MGF TRIFLUOROMAGNESATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer 25 mM Tris pH 8.0, 100 mM NaCl, 1 mM TCEP, 10% glycerol；pH 8；25 mM Tris, 100 mM NaCl, 1 mM TCEP, 10% glycerol
Resolution 28.00 Å
4DRH Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR at low pH Deposited 2012-02-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2025–2114（90 aa） Fragment：FRB domain, UNP RESIDUES 2025-2114
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 3.5；293 K；0.1M citric acid 2M (NH4)2SO4, pH 3.5, vapor diffusion, temperature 293K
Resolution 2.30 Å R-free 0.226
4DRH Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR at low pH Deposited 2012-02-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2025–2114（90 aa） Fragment：FRB domain, UNP RESIDUES 2025-2114
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 SO4 SULFATE ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 3.5；293 K；0.1M citric acid 2M (NH4)2SO4, pH 3.5, vapor diffusion, temperature 293K
Resolution 2.30 Å R-free 0.226
4DRI Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR Deposited 2012-02-17 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2025–2114（90 aa） Fragment：FRB domain, UNP residues 2025-2114
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；25% PEG3350, 0.1 M NaCl, 0.1M HEPES-NaOH pH 7.5, vapor diffusion, temperature 293K
Resolution 1.45 Å R-free 0.206
4DRJ o-crystal structure of the PPIase domain of FKBP52, Rapamycin and the FRB fragment of mTOR Deposited 2012-02-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2025–2114（90 aa） Fragment：FRB domain, UNP residues 2025-2114
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；0.1M BisTris, 1.95M (NH4)2SO4, pH 6.5, vapor diffusion, temperature 293K
Resolution 1.80 Å R-free 0.225
4FAP ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP Deposited 1999-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2019–2112（94 aa） Fragment：FRB
Not recorded ARD C15-(R)-METHYLTHIENYL RAPAMYCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；20% PEG8000, 10% MPD, 0.1 M TRIS-HCL PH 8.5, pH 8.0
Resolution 2.80 Å R-free 0.266
4JSN structure of mTORdeltaN-mLST8 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1376–2549（1174 aa） Fragment：FAT FRB KINASE
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 6-8% PEG 8000, 500 mM NaCl, 10 % (v/v) Glycerol, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.20 Å R-free 0.256
4JSN structure of mTORdeltaN-mLST8 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1376–2549（1174 aa） Fragment：FAT FRB KINASE
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 6-8% PEG 8000, 500 mM NaCl, 10 % (v/v) Glycerol, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.20 Å R-free 0.256
4JSP structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.30 Å R-free 0.268
4JSP structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.30 Å R-free 0.268
4JSV mTOR kinase structure, mechanism and regulation. Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MGF TRIFLUOROMAGNESATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop vapor diffusion；pH 8.5；277 K；PEG 8000, NaCl, pH 8.5, hanging drop vapor diffusion, temperature 277K
Resolution 3.50 Å R-free 0.251
4JSV mTOR kinase structure, mechanism and regulation. Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MGF TRIFLUOROMAGNESATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop vapor diffusion；pH 8.5；277 K；PEG 8000, NaCl, pH 8.5, hanging drop vapor diffusion, temperature 277K
Resolution 3.50 Å R-free 0.251
4JSX structure of mTORDeltaN-mLST8-Torin2 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded 17G 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl , pH 8.5, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 3.50 Å R-free 0.257
4JSX structure of mTORDeltaN-mLST8-Torin2 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded 17G 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl , pH 8.5, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 3.50 Å R-free 0.257
4JT5 mTORdeltaN-mLST8-pp242 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1376–2549（1174 aa）
Not recorded P2X 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.45 Å R-free 0.271
4JT5 mTORdeltaN-mLST8-pp242 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1376–2549（1174 aa）
Not recorded P2X 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.45 Å R-free 0.271
4JT6 structure of mTORDeltaN-mLST8-PI-103 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded X6K 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl, pH 8.5, hanging drop vapor diffusion, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 3.60 Å R-free 0.275
4JT6 structure of mTORDeltaN-mLST8-PI-103 complex Deposited 2013-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1376–2549（1174 aa） Fragment：unp residues 1376-2549
Not recorded X6K 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, NaCl, pH 8.5, hanging drop vapor diffusion, temperature 277K, VAPOR DIFFUSION, HANGING DROP
Resolution 3.60 Å R-free 0.275
5FLC Architecture of human mTOR Complex 1 - 5.9 Angstrom reconstruction Deposited 2015-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain B 1382–2549（1168 aa） Fragment：FAT AND PIKK DOMAINS
Chain F 1382–2549（1168 aa） Fragment：FAT AND PIKK DOMAINS
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 2 ELECTRON MICROSCOPY
cryo-EM buffer 100 MM NACL, 10 MM NABICINE, 1 MM TCEP；pH 8；100 MM NACL, 10 MM NABICINE, 1 MM TCEP
cryo-EM vitrification conditions Cryogen ETHANE；VITRIFICATION 1 -- CRYOGEN- ETHANE, HUMIDITY- 100, TEMPERATURE- 120, INSTRUMENT- FEI VITROBOT MARK I, METHOD- 4 SECOND BLOTTING,
Resolution 5.90 Å
5GPG Co-crystal structure of the FK506 binding domain of human FKBP25, Rapamycin and the FRB domain of human mTOR Deposited 2016-08-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2021–2112（92 aa） Fragment：UNP residues 2021-2112
Non-standard monomer：Yes (specific site not provided by mmCIF) RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% polyethyleneglycol 8000, 100mM sodium cacodylate, 200mM sodium acetate, 10mM manganese chloride
Resolution 1.67 Å R-free 0.212
5H64 Cryo-EM structure of mTORC1 Deposited 2016-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–2549（2549 aa）
Chain a 1–2549（2549 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.40 Å
5WBH Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1 Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2018–2114（97 aa） Fragment：residues 2018-2114
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；tacsimate
Resolution 1.75 Å R-free 0.210
5WBH Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1 Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2018–2114（97 aa） Fragment：residues 2018-2114
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；tacsimate
Resolution 1.75 Å R-free 0.210
5WBH Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1 Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2018–2114（97 aa） Fragment：residues 2018-2114
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；tacsimate
Resolution 1.75 Å R-free 0.210
5WBH Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1 Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2018–2114（97 aa） Fragment：residues 2018-2114
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；tacsimate
Resolution 1.75 Å R-free 0.210
5WBH Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1 Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 2018–2114（97 aa） Fragment：residues 2018-2114
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；tacsimate
Resolution 1.75 Å R-free 0.210
5WBU Crystal structure of mTOR(deltaN)-mLST8-PRAS40(alpha-helix & beta-strand) complex Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1376–2549（1174 aa） Fragment：residues 1376-2549
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG 8000
Resolution 3.42 Å R-free 0.266
5WBU Crystal structure of mTOR(deltaN)-mLST8-PRAS40(alpha-helix & beta-strand) complex Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1376–2549（1174 aa） Fragment：residues 1376-2549
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；PEG 8000
Resolution 3.42 Å R-free 0.266
5WBY Crystal structure of mTOR(deltaN)-mLST8-PRAS40(beta-strand) complex Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1376–2549（1174 aa） Fragment：residues 1376-2549
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；tacsimate
Resolution 3.10 Å R-free 0.276
5WBY Crystal structure of mTOR(deltaN)-mLST8-PRAS40(beta-strand) complex Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1376–2549（1174 aa） Fragment：residues 1376-2549
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；tacsimate
Resolution 3.10 Å R-free 0.276
5ZCS 4.9 Angstrom Cryo-EM structure of human mTOR complex 2 Deposited 2018-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.90 Å
6BCU Cryo-EM structure of the activated RHEB-mTORC1 refined to 3.4 angstrom Deposited 2017-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain A 579–2549（1971 aa）
Chain B 579–2549（1971 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 6 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
6BCX mTORC1 structure refined to 3.0 angstroms Deposited 2017-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 579–2549（1971 aa）
Chain B 579–2549（1971 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.23 Å
6M4U Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin Deposited 2020-03-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2021–2113（93 aa）
Mutation：T2098L RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 ZN ZINC ION × 8 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM cacodylic acid buffer (pH 6.5), 350 mM zinc acetate and 8% (w/v) isopropanol
Resolution 2.20 Å R-free 0.258
6M4U Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin Deposited 2020-03-09 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2021–2113（93 aa）
Mutation：T2098L RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 ZN ZINC ION × 6 CL CHLORIDE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM cacodylic acid buffer (pH 6.5), 350 mM zinc acetate and 8% (w/v) isopropanol
Resolution 2.20 Å R-free 0.258
6SB0 cryo-EM structure of mTORC1 bound to PRAS40-fused active RagA/C GTPases Deposited 2019-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 60–355（296 aa）
Chain A 381–2549（2169 aa）
Chain B 60–355（296 aa）
Chain B 381–2549（2169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；50mM HEPES pH 7.0, 100mM NaCl, 2mM MgCl2, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.50 Å
6SB2 cryo-EM structure of mTORC1 bound to active RagA/C GTPases Deposited 2019-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain A 60–355（296 aa）
Chain A 381–2549（2169 aa）
Chain B 60–355（296 aa）
Chain B 381–2549（2169 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7；100mM Tris-HCl pH7.0, 260mM NaCl, 5mM MgCl2, 1mM TCEP
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.20 Å
6ZWM cryo-EM structure of human mTOR complex 2, overall refinement Deposited 2020-07-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 4 IHP INOSITOL HEXAKISPHOSPHATE × 2 ZN ZINC ION × 2 ACE ACETYL GROUP × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.20 Å
6ZWO cryo-EM structure of human mTOR complex 2, focused on one half Deposited 2020-07-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–2549（2549 aa）
Not recorded AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 IHP INOSITOL HEXAKISPHOSPHATE × 1 ZN ZINC ION × 1 ACE ACETYL GROUP × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 3.00 Å
7OWG human DEPTOR in a complex with mutant human mTORC1 A1459P Deposited 2021-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: Octameric
Chain B 1–16（16 aa）
Chain B 31–36（6 aa）
Chain B 54–355（302 aa）
Chain B 379–2549（2171 aa）
Mutation：A1459P Mutation：A1459P Mutation：A1459P Mutation：A1459P No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；50 mM HEPES, pH 7.5, 200 mM NaCl, 1 mM TCEP, 1 mM MgCl2, 500 uM AMP-PNP
cryo-EM vitrification conditions Cryogen ETHANE；blotting time of 2 s and a force of -15.
Resolution 4.70 Å
7PE7 cryo-EM structure of DEPTOR bound to human mTOR complex 2, overall refinement Deposited 2021-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 ZN ZINC ION × 2 ACE ACETYL GROUP × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.41 Å
7PE8 cryo-EM structure of DEPTOR bound to human mTOR complex 2, focussed on one protomer Deposited 2021-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ZN ZINC ION × 1 ACE ACETYL GROUP × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
7PE9 cryo-EM structure of DEPTOR bound to human mTOR complex 2, DEPt-bound subset local refinement Deposited 2021-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ZN ZINC ION × 1 ACE ACETYL GROUP × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
7PEA cryo-EM structure of DEPTOR bound to human mTOR complex 1, overall refinement Deposited 2021-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–16（16 aa）
Chain A 31–36（6 aa）
Chain A 54–355（302 aa）
Chain A 381–2549（2169 aa）
Chain B 1–16（16 aa）
Chain B 31–36（6 aa）
Chain B 54–355（302 aa）
Chain B 381–2549（2169 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.07 Å
7PEB cryo-EM structure of DEPTOR bound to human mTOR complex 1, focussed on one protomer Deposited 2021-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–16（16 aa）
Chain A 31–36（6 aa）
Chain A 54–355（302 aa）
Chain A 381–2549（2169 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.67 Å
7PEC cryo-EM structure of DEPTOR bound to human mTOR complex 1, DEPt-bound subset local refinement Deposited 2021-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–16（16 aa）
Chain A 31–36（6 aa）
Chain A 54–355（302 aa）
Chain A 381–2549（2169 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.24 Å
7TZO The apo structure of human mTORC2 complex Deposited 2022-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.28 Å
7UXC cryo-EM structure of the mTORC1-TFEB-Rag-Ragulator complex with symmetry expansion Deposited 2022-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric
Chain A 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
7UXH cryo-EM structure of the mTORC1-TFEB-Rag-Ragulator complex Deposited 2022-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 36-meric
Chain A 1–2549（2549 aa）
Chain C 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 GDP GUANOSINE-5'-DIPHOSPHATE × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
8ERA RMC-5552 in complex with mTORC1 and FKBP12 Deposited 2022-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–2549（2549 aa）
Not recorded XZ9 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one × 1 XYU (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.86 Å
8PPZ Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR Deposited 2023-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2025–2114（90 aa）
Not recorded 0AN (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one × 1 CA CALCIUM ION × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；10% PEG8000, 0.1 M HEPES pH 7.5, 0.2 M calcium actetate
Resolution 1.85 Å R-free 0.238
8RCH CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, overall refinement Deposited 2023-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å
8RCK CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused on one protomer copy. Deposited 2023-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–2549（2549 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
8RCN CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused region of mTOR and RAPTOR on one protomer copy. Deposited 2023-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–2549（2549 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
8XI9 Crystal structure of FRB-FKBP fusion protein in complex with rapamycin Deposited 2023-12-19 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2023–2114（92 aa）
Not recorded RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；4.4M Sodium Acetate
Resolution 1.85 Å R-free 0.218
9DBO Crystal structure of a synthetic Fab (R3E9) in complex with the FRB domain of mTOR Deposited 2024-08-23 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2021–2113（93 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.2 M Calcium chloride dihydrate 16% PEG 3350
Resolution 1.55 Å R-free 0.217
9DL0 Crystal structure of a synthetic Fab (R3H8) in complex with the FRB domain of mTOR Deposited 2024-09-10 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 2021–2113（93 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M HEPES pH 7.5 4% PEG 400 2.2 M ammonium sulfate
Resolution 2.00 Å R-free 0.234
9DL0 Crystal structure of a synthetic Fab (R3H8) in complex with the FRB domain of mTOR Deposited 2024-09-10 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 2021–2113（93 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M HEPES pH 7.5 4% PEG 400 2.2 M ammonium sulfate
Resolution 2.00 Å R-free 0.234
9ED4 A composite map of mTORC1-Rag-Ragultor-4EBP1 on membrane Deposited 2024-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric
Chain A 1–2549（2549 aa）
Chain O 1–2549（2549 aa）
Not recorded GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 2 MG MAGNESIUM ION × 8 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 IHP INOSITOL HEXAKISPHOSPHATE × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 GDP GUANOSINE-5'-DIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.23 Å
9ED7 Active state of mTOR on membrane Deposited 2024-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–2549（2549 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 3 IHP INOSITOL HEXAKISPHOSPHATE × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.16 Å
9ED8 Intermediate state of mTOR on membrane Deposited 2024-11-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–2549（2549 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 IHP INOSITOL HEXAKISPHOSPHATE × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.61 Å
9F44 cryo-EM structure of LST2 TOS peptide bound to human mTOR complex 1 Deposited 2024-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.68 Å
9F45 cryo-EM structure of human LST2 bound to human mTOR complex 1 Deposited 2024-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.74 Å
9NGT Crystal structure of CRBN-DDB1 and FPFT-2216 in complex with mTOR Deposited 2025-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2018–2114（97 aa）
Not recorded ZN ZINC ION × 1 A1BC8 (3S)-3-[(4M)-4-(4-methoxythiophen-3-yl)-1H-1,2,3-triazol-1-yl]piperidine-2,6-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；70 mM MES pH 6.0, 1.8-3.2 % (w/v) PEG 3,000, and 13-24 % (w/v) PEG 200
Resolution 2.95 Å R-free 0.260
9T7J cryo-EM structure of AKT phosphorylated mTOR complex 2, overall refinement Deposited 2025-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 ZN ZINC ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
9T92 cryo-EM structure of autophosphorylated mTOR complex 2, overall refinement Deposited 2025-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9T93 cryo-EM structure of autophosphorylated mTOR complex 2, focused on a single protomer Deposited 2025-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.86 Å
9T94 cryo-EM structure of AKT phosphorylated mTOR complex 2, focused on a single protomer Deposited 2025-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.60 Å
9TDS cryo-EM structure of dephosphorylated mTOR complex 2, overall refinement Deposited 2025-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 2 ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
9TDT cryo-EM structure of dephosphorylated mTOR complex 2, focused on a single protomer Deposited 2025-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–2549（2549 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
9TPW cryo-ET structure of mTOR complex 2 on a PIP2-containing membrane Deposited 2025-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–2549（2549 aa）
Chain B 1–2549（2549 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.40 Å
9ZBJ Cryo-EM structure of human apo mTORC2 Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 203–2549（2347 aa）
Not recorded ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
9ZBK mTORC2 in complex with Akt1 Deposited 2025-11-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 80–2549（2470 aa）
Not recorded ZN ZINC ION × 1 A1AID (1M,9M)-1-{4-[4-(prop-2-enoyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl}-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.60 Å

66 other PDB entries and 82 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MTOR_HUMAN
Isoform —
PDB entities 3
Chains and sequence ranges Author chain G； PDBConstruct 3–95； UniProt 2021–2113 Author chain H； PDBConstruct 3–95； UniProt 2021–2113 Author chain I； PDBConstruct 3–95； UniProt 2021–2113

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 6m4w

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6m4w
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6m4w
Deposition date deposition_date2020-03-09
Structure title titleCrystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin
Keywords keywordsRapamycin, complex, kinase, isomerase; ISOMERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier40.51 Å
Radius of gyration Rg (electron density) rg_electron40.08 Å
Forward intensity I(0) i0524130000.00
Molecular weight molecular_weight192710.0 kDa
Excluded volume excluded_volume243280 ų
Envelope volume envelope_volume322310 ų
Hydration-shell volume shell_volume67200 ų
Envelope diameter envelope_diameter143.7 Å
Shell Rg shell_rg45.67 Å
Envelope Rg envelope_rg39.30 Å
Shape Rg shape_rg40.05 Å
Total Rg total_rg40.49 Å
Total atoms total_atoms13603
Residues n_residues1707
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax131.3 Å
Rg (real space) rg_real40.48 Å
Rg uncertainty (real space) rg_real_error1.04 Å
I(0) (real space) i0_real5.2410e+08
I(0) uncertainty (real space) i0_real_error8.4060e+06
Rg (reciprocal space) rg_reciprocal40.51 Å
I(0) (reciprocal space) i0_reciprocal524100000.0000
Solution quality estimate total_estimate0.8700
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary47.1 Å
Skewness Skewness skewness0.351
Kurtosis Kurtosis kurtosis-0.252
Angular range angular_range— – 0.1950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha66740000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.873; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.686
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (7)

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7. Fold Classification (SCOP + CATH) 15 domains

SCOP 2.08 (9 domains)

Domain ID domain_idd6m4wa_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.94 — Periplasmic binding protein-like II
Superfamily Superfamily superfamilyc.94.1 — Periplasmic binding protein-like II
Family Family familyc.94.1.1 — Phosphate binding protein-like
Domain ID domain_idd6m4wb_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.94 — Periplasmic binding protein-like II
Superfamily Superfamily superfamilyc.94.1 — Periplasmic binding protein-like II
Family Family familyc.94.1.1 — Phosphate binding protein-like
Domain ID domain_idd6m4wc_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.94 — Periplasmic binding protein-like II
Superfamily Superfamily superfamilyc.94.1 — Periplasmic binding protein-like II
Family Family familyc.94.1.1 — Phosphate binding protein-like
Domain ID domain_idd6m4wg1
Class classa — All alpha proteins
Fold Fold folda.24 — Four-helical up-and-down bundle
Superfamily Superfamily superfamilya.24.7 — FKBP12-rapamycin-binding domain of FKBP-rapamycin-associated protein (FRAP)
Family Family familya.24.7.1 — FKBP12-rapamycin-binding domain of FKBP-rapamycin-associated protein (FRAP)
Domain ID domain_idd6m4wg2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd6m4wh1
Class classa — All alpha proteins
Fold Fold folda.24 — Four-helical up-and-down bundle
Superfamily Superfamily superfamilya.24.7 — FKBP12-rapamycin-binding domain of FKBP-rapamycin-associated protein (FRAP)
Family Family familya.24.7.1 — FKBP12-rapamycin-binding domain of FKBP-rapamycin-associated protein (FRAP)
Domain ID domain_idd6m4wh2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd6m4wi1
Class classa — All alpha proteins
Fold Fold folda.24 — Four-helical up-and-down bundle
Superfamily Superfamily superfamilya.24.7 — FKBP12-rapamycin-binding domain of FKBP-rapamycin-associated protein (FRAP)
Family Family familya.24.7.1 — FKBP12-rapamycin-binding domain of FKBP-rapamycin-associated protein (FRAP)
Domain ID domain_idd6m4wi2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (6 domains)

Domain ID domain_id6m4wA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II
Domain ID domain_id6m4wB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II
Domain ID domain_id6m4wC01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily10 — Periplasmic binding protein-like II
Domain ID domain_id6m4wD01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology50 — Chitinase A; domain 3
Homologous superfamily homologous superfamily40 —
Domain ID domain_id6m4wE01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology50 — Chitinase A; domain 3
Homologous superfamily homologous superfamily40 —
Domain ID domain_id6m4wF01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology50 — Chitinase A; domain 3
Homologous superfamily homologous superfamily40 —
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8. Citations (1)

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9. Files and Curves (10)